Nurandociguat
1-[(3R)-1-[5-chloro-2-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]phenyl]piperidin-3-yl]-5-(difluoromethyl)pyrazole-4-carboxylic acid
Molecular Identity
Nurandociguat
1-[(3R)-1-[5-chloro-2-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]phenyl]piperidin-3-yl]-5-(difluoromethyl)pyrazole-4-carboxylic acid
PubChem CID: 163396665
2D Structure
Properties
C30H36ClF2N5O2
Molecular Formula
572.10
Molecular Weight
g/mol
571.2526
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
64.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
824
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C=C(C=C3)Cl)N4CCCC(C4)N5C(=C(C=N5)C(=O)O)C(F)FIsomeric SMILES
SMILES: CC(C)CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C=C(C=C3)Cl)N4CCC[C@H](C4)N5C(=C(C=N5)C(=O)O)C(F)FSynonyms(20)
NurandociguatLPU8429UK52781965-75-9RefChem:1093335Nurandociguatumnurandociguat [INN]Nurandociguat (USAN/INN)NURANDOCIGUAT [USAN]orb2664040CHEMBL6068024SCHEMBL24506670BAY-3283142HY-159523D13309T89497
Data from PubChem (NCBI)
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