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

C29H36F2N4O3 — CID 144791409

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

1-[(1R)-1-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 144791409) has the molecular formula C29H36F2N4O3 and a molecular weight of 526.63 g/mol. Its IUPAC name is 1-[(1R)-1-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(1R)-1-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
• PubChem CID: 144791409
• Molecular Formula: C29H36F2N4O3
• Molecular Weight: 526.63 g/mol
• Exact Mass: 526.28
• IUPAC Name: 1-[(1R)-1-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]ethyl]-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([C@H](C)C2CCN(CC3CC3(F)F)CC2)c2ccccc12
• InChI: InChI=1S/C29H36F2N4O3/c1-17-13-25(38-4)23(27(36)33-17)15-32-28(37)26-19(3)35(24-8-6-5-7-22(24)26)18(2)20-9-11-34(12-10-20)16-21-14-29(21,30)31/h5-8,13,18,20-21H,9-12,14-16H2,1-4H3,(H,32,37)(H,33,36)/t18-,21?/m1/s1
• InChIKey: FROUYAIOAKSWPI-ITUIMRKVSA-N
• XLogP: 4.81
• TPSA: 79.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.63
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(1R)-1-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 144791409) is 1-[(1R)-1-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

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

The canonical SMILES for 1-[(1R)-1-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]ethyl]-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([C@H](C)C2CCN(CC3CC3(F)F)CC2)c2ccccc12.

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

The InChIKey is FROUYAIOAKSWPI-ITUIMRKVSA-N. The full InChI is InChI=1S/C29H36F2N4O3/c1-17-13-25(38-4)23(27(36)33-17)15-32-28(37)26-19(3)35(24-8-6-5-7-22(24)26)18(2)20-9-11-34(12-10-20)16-21-14-29(21,30)31/h5-8,13,18,20-21H,9-12,14-16H2,1-4H3,(H,32,37)(H,33,36)/t18-,21?/m1/s1.

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

1-[(1R)-1-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide has a molecular weight of 526.63 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-1-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 144791409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).