N-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen

C29H39F4N7O3 — CID 156839036

IUPACN-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen
SMILESCc1nonc1C(=O)N[C@H](c1nc2nc(C3C[C@@](C)(F)CCN3C(=O)C34CC(F)(C3)C4)ccc2[nH]1)C1CCC(F)(F)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C29H33F4N7O3.3H2/c1-15-20(39-43-38-15)24(41)36-21(16-5-7-29(32,33)8-6-16)23-35-18-4-3-17(34-22(18)37-23)19-11-26(2,30)9-10-40(19)25(42)27-12-28(31,13-27)14-27;;;/h3-4,16,19,21H,5-14H2,1-2H3,(H,36,41)(H,34,35,37);3*1H/t19?,21-,26-,27?,28?;;;/m0.../s1
InChIKeyQJSPANAVSWZCMC-GNNTUSCPSA-N
MW609.67 g/mol
LogP5.97
Rot. Bonds6

About N-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen

N-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen (PubChem CID 156839036) has the molecular formula C29H39F4N7O3 and a molecular weight of 609.67 g/mol. Its IUPAC name is N-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen
PubChem CID156839036
Molecular FormulaC29H39F4N7O3
Molecular Weight609.67 g/mol
Exact Mass609.31
IUPAC NameN-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen
SMILESCc1nonc1C(=O)N[C@H](c1nc2nc(C3C[C@@](C)(F)CCN3C(=O)C34CC(F)(C3)C4)ccc2[nH]1)C1CCC(F)(F)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C29H33F4N7O3.3H2/c1-15-20(39-43-38-15)24(41)36-21(16-5-7-29(32,33)8-6-16)23-35-18-4-3-17(34-22(18)37-23)19-11-26(2,30)9-10-40(19)25(42)27-12-28(31,13-27)14-27;;;/h3-4,16,19,21H,5-14H2,1-2H3,(H,36,41)(H,34,35,37);3*1H/t19?,21-,26-,27?,28?;;;/m0.../s1
InChIKeyQJSPANAVSWZCMC-GNNTUSCPSA-N
XLogP5.97
TPSA129.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.67
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 164618645
CID 164618645
CID 172468245
CID 172468245
CID 142408791
CID 142408791
CID 156838991
CID 156838991
CID 156838992
CID 156838992
CID 156838993
CID 156838993
CID 156838995
CID 156838995
CID 156838997
CID 156838997
CID 156838998
CID 156838998
CID 156838999
CID 156838999
CID 156839000
CID 156839000
CID 156839003
CID 156839003

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen?
The IUPAC name of N-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen (CID 156839036) is N-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen is Cc1nonc1C(=O)N[C@H](c1nc2nc(C3C[C@@](C)(F)CCN3C(=O)C34CC(F)(C3)C4)ccc2[nH]1)C1CCC(F)(F)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of N-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen?
The InChIKey is QJSPANAVSWZCMC-GNNTUSCPSA-N. The full InChI is InChI=1S/C29H33F4N7O3.3H2/c1-15-20(39-43-38-15)24(41)36-21(16-5-7-29(32,33)8-6-16)23-35-18-4-3-17(34-22(18)37-23)19-11-26(2,30)9-10-40(19)25(42)27-12-28(31,13-27)14-27;;;/h3-4,16,19,21H,5-14H2,1-2H3,(H,36,41)(H,34,35,37);3*1H/t19?,21-,26-,27?,28?;;;/m0.../s1.
What are the key properties of N-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen?
N-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen has a molecular weight of 609.67 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4,4-difluorocyclohexyl)-[5-[(4S)-4-fluoro-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-methylpiperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 156839036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).