1-[2-[4-fluoro-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C32H24F2N8O4 — CID 118334479

About 1-[2-[4-fluoro-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334479) has the molecular formula C32H24F2N8O4 and a molecular weight of 622.59 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[4-fluoro-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• PubChem CID: 118334479
• Molecular Formula: C32H24F2N8O4
• Molecular Weight: 622.59 g/mol
• Exact Mass: 622.19
• IUPAC Name: 1-[2-[4-fluoro-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• SMILES: NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cccc3nc(-c4ccccc4F)oc23)c2ccc(-c3ccnnc3)cc12
• InChI: InChI=1S/C32H24F2N8O4/c33-19-13-26(31(45)38-23-6-3-7-24-29(23)46-32(39-24)20-4-1-2-5-22(20)34)41(15-19)27(43)16-42-25-9-8-17(18-10-11-36-37-14-18)12-21(25)28(40-42)30(35)44/h1-12,14,19,26H,13,15-16H2,(H2,35,44)(H,38,45)
• InChIKey: PVMJMFSLBZGPGW-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 162.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.59
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The IUPAC name of 1-[2-[4-fluoro-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334479) is 1-[2-[4-fluoro-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

What is the SMILES notation for 1-[2-[4-fluoro-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The canonical SMILES for 1-[2-[4-fluoro-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cccc3nc(-c4ccccc4F)oc23)c2ccc(-c3ccnnc3)cc12.

What is the InChIKey of 1-[2-[4-fluoro-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The InChIKey is PVMJMFSLBZGPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F2N8O4/c33-19-13-26(31(45)38-23-6-3-7-24-29(23)46-32(39-24)20-4-1-2-5-22(20)34)41(15-19)27(43)16-42-25-9-8-17(18-10-11-36-37-14-18)12-21(25)28(40-42)30(35)44/h1-12,14,19,26H,13,15-16H2,(H2,35,44)(H,38,45).

What are the key properties of 1-[2-[4-fluoro-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

1-[2-[4-fluoro-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 622.59 g/mol, XLogP of 4.12, 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-[[2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).