1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C24H20ClFN8O3 — CID 123183892

About 1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 123183892) has the molecular formula C24H20ClFN8O3 and a molecular weight of 522.93 g/mol. Its IUPAC name is 1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• PubChem CID: 123183892
• Molecular Formula: C24H20ClFN8O3
• Molecular Weight: 522.93 g/mol
• Exact Mass: 522.13
• IUPAC Name: 1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• SMILES: NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cccnc2Cl)c2ccc(-c3ccnnc3)cc12
• InChI: InChI=1S/C24H20ClFN8O3/c25-22-17(2-1-6-28-22)31-24(37)19-9-15(26)11-33(19)20(35)12-34-18-4-3-13(14-5-7-29-30-10-14)8-16(18)21(32-34)23(27)36/h1-8,10,15,19H,9,11-12H2,(H2,27,36)(H,31,37)
• InChIKey: CTUFXBNQMOFNGZ-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 148.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.93
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The IUPAC name of 1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 123183892) is 1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

What is the SMILES notation for 1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The canonical SMILES for 1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cccnc2Cl)c2ccc(-c3ccnnc3)cc12.

What is the InChIKey of 1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The InChIKey is CTUFXBNQMOFNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN8O3/c25-22-17(2-1-6-28-22)31-24(37)19-9-15(26)11-33(19)20(35)12-34-18-4-3-13(14-5-7-29-30-10-14)8-16(18)21(32-34)23(27)36/h1-8,10,15,19H,9,11-12H2,(H2,27,36)(H,31,37).

What are the key properties of 1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 522.93 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[(2-chloro-3-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 123183892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).