5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide

C74H86F4N14O4 — CID 157436608

About 5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide

5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide (PubChem CID 157436608) has the molecular formula C74H86F4N14O4 and a molecular weight of 1311.59 g/mol. Its IUPAC name is 5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide.

Molecular Properties

• Compound Name: 5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide
• PubChem CID: 157436608
• Molecular Formula: C74H86F4N14O4
• Molecular Weight: 1311.59 g/mol
• Exact Mass: 1310.69
• IUPAC Name: 5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide
• SMILES: CNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CC[C@@H](C(F)F)C5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)ccc1C.CNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CC[C@H](C(F)F)C5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)ccc1C
• InChI: InChI=1S/2C37H43F2N7O2/c2*1-20(2)45-19-41-30-17-29(43-34(32(30)45)42-24-9-7-21(3)27(14-24)35(47)40-6)22-8-10-28-31(13-22)46(36(48)37(28,4)5)26-15-25(16-26)44-12-11-23(18-44)33(38)39/h2*7-10,13-14,17,19-20,23,25-26,33H,11-12,15-16,18H2,1-6H3,(H,40,47)(H,42,43)/t2*23-,25?,26?/m10/s1
• InChIKey: BREIOONHGWPDSE-NCYNHIHLSA-N
• XLogP: 13.67
• TPSA: 190.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1311.59
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide?

The IUPAC name of 5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide (CID 157436608) is 5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide.

What is the SMILES notation for 5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide?

The canonical SMILES for 5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide is CNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CC[C@@H](C(F)F)C5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)ccc1C.CNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CC[C@H](C(F)F)C5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)ccc1C.

What is the InChIKey of 5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide?

The InChIKey is BREIOONHGWPDSE-NCYNHIHLSA-N. The full InChI is InChI=1S/2C37H43F2N7O2/c2*1-20(2)45-19-41-30-17-29(43-34(32(30)45)42-24-9-7-21(3)27(14-24)35(47)40-6)22-8-10-28-31(13-22)46(36(48)37(28,4)5)26-15-25(16-26)44-12-11-23(18-44)33(38)39/h2*7-10,13-14,17,19-20,23,25-26,33H,11-12,15-16,18H2,1-6H3,(H,40,47)(H,42,43)/t2*23-,25?,26?/m10/s1.

What are the key properties of 5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide?

5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide has a molecular weight of 1311.59 g/mol, XLogP of 13.67, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-[1-[3-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;5-[[6-[1-[3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 157436608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).