2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C20H19N7O — CID 47061514

IUPAC2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc2nc(NCCCn3nc4ccccn4c3=O)c3ccccc3n2n1
InChIInChI=1S/C20H19N7O/c1-14-13-18-22-19(15-7-2-3-8-16(15)27(18)23-14)21-10-6-12-26-20(28)25-11-5-4-9-17(25)24-26/h2-5,7-9,11,13H,6,10,12H2,1H3,(H,21,22)
InChIKeyQCZDJIWUYSTHAY-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.50
Rot. Bonds5

About 2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 47061514) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID47061514
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc2nc(NCCCn3nc4ccccn4c3=O)c3ccccc3n2n1
InChIInChI=1S/C20H19N7O/c1-14-13-18-22-19(15-7-2-3-8-16(15)27(18)23-14)21-10-6-12-26-20(28)25-11-5-4-9-17(25)24-26/h2-5,7-9,11,13H,6,10,12H2,1H3,(H,21,22)
InChIKeyQCZDJIWUYSTHAY-UHFFFAOYSA-N
XLogP2.50
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]quinazolin-5-amine
CID 34044453
2-[3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61387565
2,2-dimethyl-N-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethyl]propanamide
CID 99792474
2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8850832
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 78849558
2-[2-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]ethylamino]pyridine-3-carbonitrile
CID 51119677
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8890756
2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide
CID 51091181
N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 172862616
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
2-(5-amino-4,4-dimethylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 65254173
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 47061514) is 2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1cc2nc(NCCCn3nc4ccccn4c3=O)c3ccccc3n2n1.
What is the InChIKey of 2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is QCZDJIWUYSTHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-14-13-18-22-19(15-7-2-3-8-16(15)27(18)23-14)21-10-6-12-26-20(28)25-11-5-4-9-17(25)24-26/h2-5,7-9,11,13H,6,10,12H2,1H3,(H,21,22).
What are the key properties of 2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 373.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 47061514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).