6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one

C33H37F2N7O — CID 146640038

About 6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one

6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one (PubChem CID 146640038) has the molecular formula C33H37F2N7O and a molecular weight of 585.70 g/mol. Its IUPAC name is 6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one.

Molecular Properties

• Compound Name: 6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one
• PubChem CID: 146640038
• Molecular Formula: C33H37F2N7O
• Molecular Weight: 585.70 g/mol
• Exact Mass: 585.30
• IUPAC Name: 6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one
• SMILES: CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3c(F)cncc3F)c21
• InChI: InChI=1S/C33H37F2N7O/c1-19(2)41-18-37-27-15-26(38-31(30(27)41)39-29-24(34)16-36-17-25(29)35)20-8-9-23-28(12-20)42(32(43)33(23,3)4)22-13-21(14-22)40-10-6-5-7-11-40/h8-9,12,15-19,21-22H,5-7,10-11,13-14H2,1-4H3,(H,36,38,39)
• InChIKey: POWFRGUNHNCZDO-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.70
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?

The IUPAC name of 6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one (CID 146640038) is 6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one.

What is the SMILES notation for 6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?

The canonical SMILES for 6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3c(F)cncc3F)c21.

What is the InChIKey of 6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?

The InChIKey is POWFRGUNHNCZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F2N7O/c1-19(2)41-18-37-27-15-26(38-31(30(27)41)39-29-24(34)16-36-17-25(29)35)20-8-9-23-28(12-20)42(32(43)33(23,3)4)22-13-21(14-22)40-10-6-5-7-11-40/h8-9,12,15-19,21-22H,5-7,10-11,13-14H2,1-4H3,(H,36,38,39).

What are the key properties of 6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one?

6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one has a molecular weight of 585.70 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(3,5-difluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one is sourced from PubChem (CID 146640038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).