2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide

C17H13N5O2 — CID 72860863

IUPAC2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide
SMILESO=C(NCc1cnn2cccnc12)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H13N5O2/c23-15-8-13(12-4-1-2-5-14(12)21-15)17(24)19-9-11-10-20-22-7-3-6-18-16(11)22/h1-8,10H,9H2,(H,19,24)(H,21,23)
InChIKeyQXSZYSQUDKGCCZ-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.50
Rot. Bonds3

About 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide

2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide (PubChem CID 72860863) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide
PubChem CID72860863
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide
SMILESO=C(NCc1cnn2cccnc12)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H13N5O2/c23-15-8-13(12-4-1-2-5-14(12)21-15)17(24)19-9-11-10-20-22-7-3-6-18-16(11)22/h1-8,10H,9H2,(H,19,24)(H,21,23)
InChIKeyQXSZYSQUDKGCCZ-UHFFFAOYSA-N
XLogP1.50
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 77094277
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 70774352
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide
CID 90653539
N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136535072
2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 90648596
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 119074936
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide
CID 86286976
6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide
CID 90651357
N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39977011
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26447386

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide (CID 72860863) is 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide is O=C(NCc1cnn2cccnc12)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide?
The InChIKey is QXSZYSQUDKGCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c23-15-8-13(12-4-1-2-5-14(12)21-15)17(24)19-9-11-10-20-22-7-3-6-18-16(11)22/h1-8,10H,9H2,(H,19,24)(H,21,23).
What are the key properties of 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide?
2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 72860863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).