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

C29H37FN4O3 — CID 123189264

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

1-[1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 123189264) has the molecular formula C29H37FN4O3 and a molecular weight of 508.64 g/mol. Its IUPAC name is 1-[1-[1-[(1-fluorocyclopropyl)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-[1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
• PubChem CID: 123189264
• Molecular Formula: C29H37FN4O3
• Molecular Weight: 508.64 g/mol
• Exact Mass: 508.28
• IUPAC Name: 1-[1-[1-[(1-fluorocyclopropyl)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(C)C2CCN(CC3(F)CC3)CC2)c2ccccc12
• InChI: InChI=1S/C29H37FN4O3/c1-18-15-25(37-4)23(27(35)32-18)16-31-28(36)26-20(3)34(24-8-6-5-7-22(24)26)19(2)21-9-13-33(14-10-21)17-29(30)11-12-29/h5-8,15,19,21H,9-14,16-17H2,1-4H3,(H,31,36)(H,32,35)
• InChIKey: KJDAYPSLHSFSAK-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 79.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.64
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(1-fluorocyclopropyl)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-[1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 123189264) is 1-[1-[1-[(1-fluorocyclopropyl)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-[1-[1-[(1-fluorocyclopropyl)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-[1-[1-[(1-fluorocyclopropyl)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(C)C2CCN(CC3(F)CC3)CC2)c2ccccc12.

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

The InChIKey is KJDAYPSLHSFSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN4O3/c1-18-15-25(37-4)23(27(35)32-18)16-31-28(36)26-20(3)34(24-8-6-5-7-22(24)26)19(2)21-9-13-33(14-10-21)17-29(30)11-12-29/h5-8,15,19,21H,9-14,16-17H2,1-4H3,(H,31,36)(H,32,35).

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

1-[1-[1-[(1-fluorocyclopropyl)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 508.64 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-[(1-fluorocyclopropyl)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 123189264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).