N-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide

C39H47F2N7O2 — CID 147224685

IUPACN-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide
SMILESCc1ccc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)cc1C(=O)N[C@H](C)C(F)F
InChIInChI=1S/C39H47F2N7O2/c1-22(2)47-21-42-32-20-31(45-36(34(32)47)44-26-12-10-23(3)29(17-26)37(49)43-24(4)35(40)41)25-11-13-30-33(16-25)48(38(50)39(30,5)6)28-18-27(19-28)46-14-8-7-9-15-46/h10-13,16-17,20-22,24,27-28,35H,7-9,14-15,18-19H2,1-6H3,(H,43,49)(H,44,45)/t24-,27?,28?/m1/s1
InChIKeyCHTBHEIFCBUOGZ-CGRGFOQSSA-N
MW683.85 g/mol
LogP7.76
Rot. Bonds9

About N-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide

N-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide (PubChem CID 147224685) has the molecular formula C39H47F2N7O2 and a molecular weight of 683.85 g/mol. Its IUPAC name is N-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide
PubChem CID147224685
Molecular FormulaC39H47F2N7O2
Molecular Weight683.85 g/mol
Exact Mass683.38
IUPAC NameN-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide
SMILESCc1ccc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)cc1C(=O)N[C@H](C)C(F)F
InChIInChI=1S/C39H47F2N7O2/c1-22(2)47-21-42-32-20-31(45-36(34(32)47)44-26-12-10-23(3)29(17-26)37(49)43-24(4)35(40)41)25-11-13-30-33(16-25)48(38(50)39(30,5)6)28-18-27(19-28)46-14-8-7-9-15-46/h10-13,16-17,20-22,24,27-28,35H,7-9,14-15,18-19H2,1-6H3,(H,43,49)(H,44,45)/t24-,27?,28?/m1/s1
InChIKeyCHTBHEIFCBUOGZ-CGRGFOQSSA-N
XLogP7.76
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.85
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide?
The IUPAC name of N-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide (CID 147224685) is N-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide.
What is the SMILES notation for N-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide?
The canonical SMILES for N-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide is Cc1ccc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)cc1C(=O)N[C@H](C)C(F)F.
What is the InChIKey of N-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide?
The InChIKey is CHTBHEIFCBUOGZ-CGRGFOQSSA-N. The full InChI is InChI=1S/C39H47F2N7O2/c1-22(2)47-21-42-32-20-31(45-36(34(32)47)44-26-12-10-23(3)29(17-26)37(49)43-24(4)35(40)41)25-11-13-30-33(16-25)48(38(50)39(30,5)6)28-18-27(19-28)46-14-8-7-9-15-46/h10-13,16-17,20-22,24,27-28,35H,7-9,14-15,18-19H2,1-6H3,(H,43,49)(H,44,45)/t24-,27?,28?/m1/s1.
What are the key properties of N-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide?
N-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide has a molecular weight of 683.85 g/mol, XLogP of 7.76, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,1-difluoropropan-2-yl]-5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide is sourced from PubChem (CID 147224685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).