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

C29H26FN9O3 — CID 118323709

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

1-[2-[(2S,4R)-4-fluoro-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118323709) has the molecular formula C29H26FN9O3 and a molecular weight of 567.59 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-4-fluoro-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(2S,4R)-4-fluoro-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• PubChem CID: 118323709
• Molecular Formula: C29H26FN9O3
• Molecular Weight: 567.59 g/mol
• Exact Mass: 567.21
• IUPAC Name: 1-[2-[(2S,4R)-4-fluoro-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
• SMILES: Cc1ccnn1-c1ccccc1NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2cc(-c3ccnnc3)ccc21
• InChI: InChI=1S/C29H26FN9O3/c1-17-8-11-34-39(17)24-5-3-2-4-22(24)35-29(42)25-13-20(30)15-37(25)26(40)16-38-23-7-6-18(19-9-10-32-33-14-19)12-21(23)27(36-38)28(31)41/h2-12,14,20,25H,13,15-16H2,1H3,(H2,31,41)(H,35,42)/t20-,25+/m1/s1
• InChIKey: LORLHRLRYFPEEE-NLFFAJNJSA-N
• XLogP: 2.66
• TPSA: 153.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.59
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118323709) is 1-[2-[(2S,4R)-4-fluoro-2-[[2-(5-methylpyrazol-1-yl)phenyl]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-(5-methylpyrazol-1-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?

The canonical SMILES for 1-[2-[(2S,4R)-4-fluoro-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is Cc1ccnn1-c1ccccc1NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1nc(C(N)=O)c2cc(-c3ccnnc3)ccc21.

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

The InChIKey is LORLHRLRYFPEEE-NLFFAJNJSA-N. The full InChI is InChI=1S/C29H26FN9O3/c1-17-8-11-34-39(17)24-5-3-2-4-22(24)35-29(42)25-13-20(30)15-37(25)26(40)16-38-23-7-6-18(19-9-10-32-33-14-19)12-21(23)27(36-38)28(31)41/h2-12,14,20,25H,13,15-16H2,1H3,(H2,31,41)(H,35,42)/t20-,25+/m1/s1.

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

1-[2-[(2S,4R)-4-fluoro-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 567.59 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2S,4R)-4-fluoro-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118323709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).