compound I-85 [WO2020224652]
N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
Molecular Identity
compound I-85 [WO2020224652]
N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID: 155277574
2D Structure
Properties
C25H29N5O2S
Molecular Formula
463.60
Molecular Weight
g/mol
463.2042
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
107
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
715
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3CC4=C(C=C(C=C4)N5CC6CCC(C5)N6)OC3)NCIsomeric SMILES
SMILES: CC1=NC2=C(C=C1)C(=C(S2)C(=O)N[C@@H]3CC4=C(C=C(C=C4)N5CC6CCC(C5)N6)OC3)NCSynonyms(13)
CT11132523435-18-7orb2278140PBSS1113SCHEMBL22644925GTPL14188CT-1113compound I-85 [WO2020224652]DA-52149HY-153996CS-0882572T79187N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to compound I-85 [WO2020224652]
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