1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

C28H32F2N4O4 — CID 144791463

About 1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 144791463) has the molecular formula C28H32F2N4O4 and a molecular weight of 526.58 g/mol. Its IUPAC name is 1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
• PubChem CID: 144791463
• Molecular Formula: C28H32F2N4O4
• Molecular Weight: 526.58 g/mol
• Exact Mass: 526.24
• IUPAC Name: 1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(CC2CCN(C(=O)C3CC3(F)F)CC2)c2ccccc12
• InChI: InChI=1S/C28H32F2N4O4/c1-16-12-23(38-3)20(25(35)32-16)14-31-26(36)24-17(2)34(22-7-5-4-6-19(22)24)15-18-8-10-33(11-9-18)27(37)21-13-28(21,29)30/h4-7,12,18,21H,8-11,13-15H2,1-3H3,(H,31,36)(H,32,35)
• InChIKey: AUABMPSOMPBONC-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 96.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.58
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?

The IUPAC name of 1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 144791463) is 1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

What is the SMILES notation for 1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?

The canonical SMILES for 1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(CC2CCN(C(=O)C3CC3(F)F)CC2)c2ccccc12.

What is the InChIKey of 1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?

The InChIKey is AUABMPSOMPBONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N4O4/c1-16-12-23(38-3)20(25(35)32-16)14-31-26(36)24-17(2)34(22-7-5-4-6-19(22)24)15-18-8-10-33(11-9-18)27(37)21-13-28(21,29)30/h4-7,12,18,21H,8-11,13-15H2,1-3H3,(H,31,36)(H,32,35).

What are the key properties of 1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?

1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide has a molecular weight of 526.58 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 144791463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).