2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide

C24H25ClFN5O4 — CID 166957650

About 2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide

2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide (PubChem CID 166957650) has the molecular formula C24H25ClFN5O4 and a molecular weight of 501.95 g/mol. Its IUPAC name is 2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
• PubChem CID: 166957650
• Molecular Formula: C24H25ClFN5O4
• Molecular Weight: 501.95 g/mol
• Exact Mass: 501.16
• IUPAC Name: 2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
• SMILES: CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(NC=O)cc12
• InChI: InChI=1S/C24H25ClFN5O4/c1-14(2)30(11-21(34)27-10-16-5-4-6-19(25)23(16)26)22(35)12-31-20-8-7-17(28-13-32)9-18(20)24(29-31)15(3)33/h4-9,13-14H,10-12H2,1-3H3,(H,27,34)(H,28,32)
• InChIKey: GYXDNLFGOASGAL-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 113.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.95
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide?

The IUPAC name of 2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide (CID 166957650) is 2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide is CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(NC=O)cc12.

What is the InChIKey of 2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide?

The InChIKey is GYXDNLFGOASGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O4/c1-14(2)30(11-21(34)27-10-16-5-4-6-19(25)23(16)26)22(35)12-31-20-8-7-17(28-13-32)9-18(20)24(29-31)15(3)33/h4-9,13-14H,10-12H2,1-3H3,(H,27,34)(H,28,32).

What are the key properties of 2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide?

2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide has a molecular weight of 501.95 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 166957650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).