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

C41H47F4N7O2 — CID 149292705

IUPACN-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-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)C(=O)C4(C)C)cc3ncn(C(C)C)c23)c(F)c1F
InChIInChI=1S/C41H47F4N7O2/c1-22(2)51-21-46-30-18-28(47-35(34(30)51)48-29-17-26(23(3)32(42)33(29)43)36(53)49-41(12-13-41)37(44)45)24-10-11-27-31(16-24)52(38(54)39(27,4)5)25-19-40(6,20-25)50-14-8-7-9-15-50/h10-11,16-18,21-22,25,37H,7-9,12-15,19-20H2,1-6H3,(H,47,48)(H,49,53)
InChIKeyXVEAXHSYGFAWPW-UHFFFAOYSA-N
MW745.87 g/mol
LogP8.57
Rot. Bonds9

About N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-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)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide (PubChem CID 149292705) has the molecular formula C41H47F4N7O2 and a molecular weight of 745.87 g/mol. Its IUPAC name is N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-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)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide
PubChem CID149292705
Molecular FormulaC41H47F4N7O2
Molecular Weight745.87 g/mol
Exact Mass745.37
IUPAC NameN-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-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)C(=O)C4(C)C)cc3ncn(C(C)C)c23)c(F)c1F
InChIInChI=1S/C41H47F4N7O2/c1-22(2)51-21-46-30-18-28(47-35(34(30)51)48-29-17-26(23(3)32(42)33(29)43)36(53)49-41(12-13-41)37(44)45)24-10-11-27-31(16-24)52(38(54)39(27,4)5)25-19-40(6,20-25)50-14-8-7-9-15-50/h10-11,16-18,21-22,25,37H,7-9,12-15,19-20H2,1-6H3,(H,47,48)(H,49,53)
InChIKeyXVEAXHSYGFAWPW-UHFFFAOYSA-N
XLogP8.57
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.87
LogP ≤ 58.57
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)-2-oxoindol-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)-2-oxoindol-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)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide (CID 149292705) is N-[1-(difluoromethyl)cyclopropyl]-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-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)-2-oxoindol-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)-2-oxoindol-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)C(=O)C4(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)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide?
The InChIKey is XVEAXHSYGFAWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47F4N7O2/c1-22(2)51-21-46-30-18-28(47-35(34(30)51)48-29-17-26(23(3)32(42)33(29)43)36(53)49-41(12-13-41)37(44)45)24-10-11-27-31(16-24)52(38(54)39(27,4)5)25-19-40(6,20-25)50-14-8-7-9-15-50/h10-11,16-18,21-22,25,37H,7-9,12-15,19-20H2,1-6H3,(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)-2-oxoindol-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)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide has a molecular weight of 745.87 g/mol, XLogP of 8.57, 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)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide is sourced from PubChem (CID 149292705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).