1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C31H32FN7O4 — CID 123951412

About 1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 123951412) has the molecular formula C31H32FN7O4 and a molecular weight of 585.64 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• PubChem CID: 123951412
• Molecular Formula: C31H32FN7O4
• Molecular Weight: 585.64 g/mol
• Exact Mass: 585.25
• IUPAC Name: 1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• SMILES: NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)NC2CCCC2OCc2ccccc2)c2ccc(-c3ccnnc3)cc12
• InChI: InChI=1S/C31H32FN7O4/c32-22-14-26(31(42)36-24-7-4-8-27(24)43-18-19-5-2-1-3-6-19)38(16-22)28(40)17-39-25-10-9-20(21-11-12-34-35-15-21)13-23(25)29(37-39)30(33)41/h1-3,5-6,9-13,15,22,24,26-27H,4,7-8,14,16-18H2,(H2,33,41)(H,36,42)
• InChIKey: CWLLZRQDATYGCG-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 145.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.64
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The IUPAC name of 1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 123951412) is 1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

What is the SMILES notation for 1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The canonical SMILES for 1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)NC2CCCC2OCc2ccccc2)c2ccc(-c3ccnnc3)cc12.

What is the InChIKey of 1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The InChIKey is CWLLZRQDATYGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O4/c32-22-14-26(31(42)36-24-7-4-8-27(24)43-18-19-5-2-1-3-6-19)38(16-22)28(40)17-39-25-10-9-20(21-11-12-34-35-15-21)13-23(25)29(37-39)30(33)41/h1-3,5-6,9-13,15,22,24,26-27H,4,7-8,14,16-18H2,(H2,33,41)(H,36,42).

What are the key properties of 1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 585.64 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 123951412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).