N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide

C20H21N7O3 — CID 51134974

About N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide

N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 51134974) has the molecular formula C20H21N7O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide
• PubChem CID: 51134974
• Molecular Formula: C20H21N7O3
• Molecular Weight: 407.43 g/mol
• Exact Mass: 407.17
• IUPAC Name: N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide
• SMILES: CC(NC(=O)c1n[nH]c2ccccc12)C(=O)NCCCn1nc2ccccn2c1=O
• InChI: InChI=1S/C20H21N7O3/c1-13(22-19(29)17-14-7-2-3-8-15(14)23-24-17)18(28)21-10-6-12-27-20(30)26-11-5-4-9-16(26)25-27/h2-5,7-9,11,13H,6,10,12H2,1H3,(H,21,28)(H,22,29)(H,23,24)
• InChIKey: FRAYNDDLIPVECS-UHFFFAOYSA-N
• XLogP: 0.70
• TPSA: 126.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.43
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide (CID 51134974) is N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide is CC(NC(=O)c1n[nH]c2ccccc12)C(=O)NCCCn1nc2ccccn2c1=O.

What is the InChIKey of N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide?

The InChIKey is FRAYNDDLIPVECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3/c1-13(22-19(29)17-14-7-2-3-8-15(14)23-24-17)18(28)21-10-6-12-27-20(30)26-11-5-4-9-16(26)25-27/h2-5,7-9,11,13H,6,10,12H2,1H3,(H,21,28)(H,22,29)(H,23,24).

What are the key properties of N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide?

N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 51134974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).