6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one

C36H37FN8O4 — CID 177172217

About 6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one

6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one (PubChem CID 177172217) has the molecular formula C36H37FN8O4 and a molecular weight of 664.74 g/mol. Its IUPAC name is 6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one.

Molecular Properties

• Compound Name: 6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one
• PubChem CID: 177172217
• Molecular Formula: C36H37FN8O4
• Molecular Weight: 664.74 g/mol
• Exact Mass: 664.29
• IUPAC Name: 6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one
• SMILES: COc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(c4cccc(=O)n4C)CC3)cc12
• InChI: InChI=1S/C36H37FN8O4/c1-41-31(10-5-11-32(41)46)42-17-19-43(20-18-42)36(48)29-22-28-27(25-8-3-4-9-30(25)49-2)21-26(34(37)35(28)39-29)24-7-6-14-44(23-24)33(47)12-15-45-16-13-38-40-45/h3-5,7-11,13,16,21-22,39H,6,12,14-15,17-20,23H2,1-2H3
• InChIKey: VFQZEYLBMGBMGB-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 121.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	664.74
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one?

The IUPAC name of 6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one (CID 177172217) is 6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one.

What is the SMILES notation for 6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one?

The canonical SMILES for 6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one is COc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCN(c4cccc(=O)n4C)CC3)cc12.

What is the InChIKey of 6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one?

The InChIKey is VFQZEYLBMGBMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37FN8O4/c1-41-31(10-5-11-32(41)46)42-17-19-43(20-18-42)36(48)29-22-28-27(25-8-3-4-9-30(25)49-2)21-26(34(37)35(28)39-29)24-7-6-14-44(23-24)33(47)12-15-45-16-13-38-40-45/h3-5,7-11,13,16,21-22,39H,6,12,14-15,17-20,23H2,1-2H3.

What are the key properties of 6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one?

6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one has a molecular weight of 664.74 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 177172217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).