Molecules/N-[(3S,4S)-1-(Cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
N-[(3S,4S)-1-(Cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
N-[(3S,4S)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
Molecular Identity
N-[(3S,4S)-1-(Cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
N-[(3S,4S)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID: 139360137
2D Structure
Properties
C27H28F2N6O3
Molecular Formula
522.50
Molecular Weight
g/mol
522.2191
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
868
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1CN2CCC(C(C2)C(=O)NC3(CC3)C4=NC=CC=N4)NC(=O)C5=NOC(=C5)C6=C(C=C(C=C6)F)FIsomeric SMILES
SMILES: C1CN(C[C@@H]([C@H]1NC(=O)C2=NOC(=C2)C3=C(C=C(C=C3)F)F)C(=O)NC4(CC4)C5=NC=CC=N5)CC6CC6Synonyms(20)
ACT-1004-12392178049-58-4CanverixinCHEMBL4782111Canverixin (USAN)N-[(3S,4S)-1-(Cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamideCANVERIXIN [USAN](3S,4S)-1-(Cyclopropylmethyl)-4-[[[5-(2,4-difluorophenyl)-3-isoxazolyl]carbonyl]amino]-N-[1-(2-pyrimidinyl)cyclopropyl]-3-piperidinecarboxamide3-Piperidinecarboxamide, 1-(cyclopropylmethyl)-4-[[[5-(2,4-difluorophenyl)-3-isoxazolyl]carbonyl]amino]-N-[1-(2-pyrimidinyl)cyclopropyl]-, (3S,4S)-N-((3S,4S)-1-(Cyclopropylmethyl)-3-((1-(pyrimidin-2-yl)cyclopropyl)carbamoyl)piperidin-4-yl)-5-(2,4-difluorophenyl)isoxazole-3-carboxamidecanverixin [INN]N-[(3S,4S)-1-(Cyclopropylmethyl)-3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}piperidin-4-yl]-5-(2,4-difluorophenyl)isoxazole-3-carboxamideorb2695156SCHEMBL21211623GTPL14179
Data from PubChem (NCBI)
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Molecular Structure
N-[(3S,4S)-1-(Cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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Drug Network
Trials and conditions connected to N-[(3S,4S)-1-(Cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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