1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one

C34H35FN8O3 — CID 177171344

About 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one

1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one (PubChem CID 177171344) has the molecular formula C34H35FN8O3 and a molecular weight of 622.71 g/mol. Its IUPAC name is 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
• PubChem CID: 177171344
• Molecular Formula: C34H35FN8O3
• Molecular Weight: 622.71 g/mol
• Exact Mass: 622.28
• IUPAC Name: 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
• SMILES: COc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCC(n4cccn4)CC3)cc12
• InChI: InChI=1S/C34H35FN8O3/c1-46-30-8-3-2-7-25(30)27-20-26(23-6-4-14-41(22-23)31(44)11-18-42-19-13-36-39-42)32(35)33-28(27)21-29(38-33)34(45)40-16-9-24(10-17-40)43-15-5-12-37-43/h2-3,5-8,12-13,15,19-21,24,38H,4,9-11,14,16-18,22H2,1H3
• InChIKey: CLWPAAHDJORWFY-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 114.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.71
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?

The IUPAC name of 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one (CID 177171344) is 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one.

What is the SMILES notation for 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?

The canonical SMILES for 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one is COc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N3CCC(n4cccn4)CC3)cc12.

What is the InChIKey of 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?

The InChIKey is CLWPAAHDJORWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN8O3/c1-46-30-8-3-2-7-25(30)27-20-26(23-6-4-14-41(22-23)31(44)11-18-42-19-13-36-39-42)32(35)33-28(27)21-29(38-33)34(45)40-16-9-24(10-17-40)43-15-5-12-37-43/h2-3,5-8,12-13,15,19-21,24,38H,4,9-11,14,16-18,22H2,1H3.

What are the key properties of 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?

1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one has a molecular weight of 622.71 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[7-fluoro-4-(2-methoxyphenyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 177171344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).