N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide

C41H49F4N7O — CID 152911541

IUPACN-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide
SMILESCc1c(C(=O)NC2(C(F)F)CC2)cc(Nc2nc(-c3ccc4c(c3)N(C3CC(C)(N5CCCCC5)C3)CC4(C)C)cc3ncn(C(C)C)c23)c(F)c1F
InChIInChI=1S/C41H49F4N7O/c1-23(2)52-22-46-31-18-29(25-10-11-28-32(16-25)51(21-39(28,4)5)26-19-40(6,20-26)50-14-8-7-9-15-50)47-36(35(31)52)48-30-17-27(24(3)33(42)34(30)43)37(53)49-41(12-13-41)38(44)45/h10-11,16-18,22-23,26,38H,7-9,12-15,19-21H2,1-6H3,(H,47,48)(H,49,53)
InChIKeyUHHMYUDOGWWJAO-UHFFFAOYSA-N
MW731.88 g/mol
LogP9.04
Rot. Bonds9

About N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide

N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide (PubChem CID 152911541) has the molecular formula C41H49F4N7O and a molecular weight of 731.88 g/mol. Its IUPAC name is N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide
PubChem CID152911541
Molecular FormulaC41H49F4N7O
Molecular Weight731.88 g/mol
Exact Mass731.39
IUPAC NameN-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide
SMILESCc1c(C(=O)NC2(C(F)F)CC2)cc(Nc2nc(-c3ccc4c(c3)N(C3CC(C)(N5CCCCC5)C3)CC4(C)C)cc3ncn(C(C)C)c23)c(F)c1F
InChIInChI=1S/C41H49F4N7O/c1-23(2)52-22-46-31-18-29(25-10-11-28-32(16-25)51(21-39(28,4)5)26-19-40(6,20-26)50-14-8-7-9-15-50)47-36(35(31)52)48-30-17-27(24(3)33(42)34(30)43)37(53)49-41(12-13-41)38(44)45/h10-11,16-18,22-23,26,38H,7-9,12-15,19-21H2,1-6H3,(H,47,48)(H,49,53)
InChIKeyUHHMYUDOGWWJAO-UHFFFAOYSA-N
XLogP9.04
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.88
LogP ≤ 59.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide?
The IUPAC name of N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide (CID 152911541) is N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide.
What is the SMILES notation for N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide?
The canonical SMILES for N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide is Cc1c(C(=O)NC2(C(F)F)CC2)cc(Nc2nc(-c3ccc4c(c3)N(C3CC(C)(N5CCCCC5)C3)CC4(C)C)cc3ncn(C(C)C)c23)c(F)c1F.
What is the InChIKey of N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide?
The InChIKey is UHHMYUDOGWWJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49F4N7O/c1-23(2)52-22-46-31-18-29(25-10-11-28-32(16-25)51(21-39(28,4)5)26-19-40(6,20-26)50-14-8-7-9-15-50)47-36(35(31)52)48-30-17-27(24(3)33(42)34(30)43)37(53)49-41(12-13-41)38(44)45/h10-11,16-18,22-23,26,38H,7-9,12-15,19-21H2,1-6H3,(H,47,48)(H,49,53).
What are the key properties of N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide?
N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide has a molecular weight of 731.88 g/mol, XLogP of 9.04, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2H-indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide is sourced from PubChem (CID 152911541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).