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

C26H24FN9O5 — CID 118334445

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

1-[2-[4-fluoro-2-[[1-(2-oxooxolan-3-yl)pyrazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334445) has the molecular formula C26H24FN9O5 and a molecular weight of 561.53 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[[1-(2-oxooxolan-3-yl)pyrazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[4-fluoro-2-[[1-(2-oxooxolan-3-yl)pyrazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• PubChem CID: 118334445
• Molecular Formula: C26H24FN9O5
• Molecular Weight: 561.53 g/mol
• Exact Mass: 561.19
• IUPAC Name: 1-[2-[4-fluoro-2-[[1-(2-oxooxolan-3-yl)pyrazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• SMILES: NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2ccn(C3CCOC3=O)n2)c2ccc(-c3ccnnc3)cc12
• InChI: InChI=1S/C26H24FN9O5/c27-16-10-20(25(39)31-21-4-7-35(32-21)19-5-8-41-26(19)40)34(12-16)22(37)13-36-18-2-1-14(15-3-6-29-30-11-15)9-17(18)23(33-36)24(28)38/h1-4,6-7,9,11,16,19-20H,5,8,10,12-13H2,(H2,28,38)(H,31,32,39)
• InChIKey: QKXIBZJNNYULES-UHFFFAOYSA-N
• XLogP: 0.85
• TPSA: 180.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.53
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 1-[2-[4-fluoro-2-[[1-(2-oxooxolan-3-yl)pyrazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334445) is 1-[2-[4-fluoro-2-[[1-(2-oxooxolan-3-yl)pyrazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

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

The canonical SMILES for 1-[2-[4-fluoro-2-[[1-(2-oxooxolan-3-yl)pyrazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2ccn(C3CCOC3=O)n2)c2ccc(-c3ccnnc3)cc12.

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

The InChIKey is QKXIBZJNNYULES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN9O5/c27-16-10-20(25(39)31-21-4-7-35(32-21)19-5-8-41-26(19)40)34(12-16)22(37)13-36-18-2-1-14(15-3-6-29-30-11-15)9-17(18)23(33-36)24(28)38/h1-4,6-7,9,11,16,19-20H,5,8,10,12-13H2,(H2,28,38)(H,31,32,39).

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

1-[2-[4-fluoro-2-[[1-(2-oxooxolan-3-yl)pyrazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 561.53 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-fluoro-2-[[1-(2-oxooxolan-3-yl)pyrazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).