1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C24H21FN8O4 — CID 126643410

About 1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 126643410) has the molecular formula C24H21FN8O4 and a molecular weight of 504.48 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• PubChem CID: 126643410
• Molecular Formula: C24H21FN8O4
• Molecular Weight: 504.48 g/mol
• Exact Mass: 504.17
• IUPAC Name: 1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• SMILES: NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc[nH]c2=O)c2ccc(-c3ccnnc3)cc12
• InChI: InChI=1S/C24H21FN8O4/c25-15-9-19(24(37)30-17-2-1-6-27-23(17)36)32(11-15)20(34)12-33-18-4-3-13(14-5-7-28-29-10-14)8-16(18)21(31-33)22(26)35/h1-8,10,15,19H,9,11-12H2,(H2,26,35)(H,27,36)(H,30,37)/t15-,19+/m1/s1
• InChIKey: JRLHRYSCYBFYSG-BEFAXECRSA-N
• XLogP: 0.86
• TPSA: 168.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.48
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 126643410) is 1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

What is the SMILES notation for 1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The canonical SMILES for 1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc[nH]c2=O)c2ccc(-c3ccnnc3)cc12.

What is the InChIKey of 1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The InChIKey is JRLHRYSCYBFYSG-BEFAXECRSA-N. The full InChI is InChI=1S/C24H21FN8O4/c25-15-9-19(24(37)30-17-2-1-6-27-23(17)36)32(11-15)20(34)12-33-18-4-3-13(14-5-7-28-29-10-14)8-16(18)21(31-33)22(26)35/h1-8,10,15,19H,9,11-12H2,(H2,26,35)(H,27,36)(H,30,37)/t15-,19+/m1/s1.

What are the key properties of 1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 504.48 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2S,4R)-4-fluoro-2-[(2-oxo-1H-pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 126643410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).