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

C30H27F2N9O3 — CID 118334420

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

1-[2-[4-fluoro-2-[[5-(2-fluorophenyl)-2,3-dimethylimidazol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334420) has the molecular formula C30H27F2N9O3 and a molecular weight of 599.60 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[[5-(2-fluorophenyl)-2,3-dimethylimidazol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[4-fluoro-2-[[5-(2-fluorophenyl)-2,3-dimethylimidazol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• PubChem CID: 118334420
• Molecular Formula: C30H27F2N9O3
• Molecular Weight: 599.60 g/mol
• Exact Mass: 599.22
• IUPAC Name: 1-[2-[4-fluoro-2-[[5-(2-fluorophenyl)-2,3-dimethylimidazol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• SMILES: Cc1nc(-c2ccccc2F)c(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)n1C
• InChI: InChI=1S/C30H27F2N9O3/c1-16-36-27(20-5-3-4-6-22(20)32)29(39(16)2)37-30(44)24-12-19(31)14-40(24)25(42)15-41-23-8-7-17(18-9-10-34-35-13-18)11-21(23)26(38-41)28(33)43/h3-11,13,19,24H,12,14-15H2,1-2H3,(H2,33,43)(H,37,44)
• InChIKey: BIQMULIHXCJXJQ-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 153.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.60
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[2-[4-fluoro-2-[[5-(2-fluorophenyl)-2,3-dimethylimidazol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334420) is 1-[2-[4-fluoro-2-[[5-(2-fluorophenyl)-2,3-dimethylimidazol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

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

The canonical SMILES for 1-[2-[4-fluoro-2-[[5-(2-fluorophenyl)-2,3-dimethylimidazol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is Cc1nc(-c2ccccc2F)c(NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)n1C.

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

The InChIKey is BIQMULIHXCJXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N9O3/c1-16-36-27(20-5-3-4-6-22(20)32)29(39(16)2)37-30(44)24-12-19(31)14-40(24)25(42)15-41-23-8-7-17(18-9-10-34-35-13-18)11-21(23)26(38-41)28(33)43/h3-11,13,19,24H,12,14-15H2,1-2H3,(H2,33,43)(H,37,44).

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

1-[2-[4-fluoro-2-[[5-(2-fluorophenyl)-2,3-dimethylimidazol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 599.60 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-fluoro-2-[[5-(2-fluorophenyl)-2,3-dimethylimidazol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).