2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one

C24H23N7O3 — CID 145057354

IUPAC2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one
SMILESCC#Cc1coc2nc(CC)n(-c3ccccc3)c(=O)c12.NC(=O)c1c(N)nn2c1NCC=C2
InChIInChI=1S/C17H14N2O2.C7H9N5O/c1-3-8-12-11-21-16-15(12)17(20)19(14(4-2)18-16)13-9-6-5-7-10-13;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h5-7,9-11H,4H2,1-2H3;1,3,10H,2H2,(H2,8,11)(H2,9,13)
InChIKeyNQWSEVDKXFTIBS-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.37
Rot. Bonds3

About 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one

2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one (PubChem CID 145057354) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one
PubChem CID145057354
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one
SMILESCC#Cc1coc2nc(CC)n(-c3ccccc3)c(=O)c12.NC(=O)c1c(N)nn2c1NCC=C2
InChIInChI=1S/C17H14N2O2.C7H9N5O/c1-3-8-12-11-21-16-15(12)17(20)19(14(4-2)18-16)13-9-6-5-7-10-13;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h5-7,9-11H,4H2,1-2H3;1,3,10H,2H2,(H2,8,11)(H2,9,13)
InChIKeyNQWSEVDKXFTIBS-UHFFFAOYSA-N
XLogP2.37
TPSA146.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;6-ethyl-3-ethynyl-5-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 145057620
2-amino-N-[1-[4-oxo-3-phenyl-5-(2-pyridin-4-ylethynyl)furo[2,3-d]pyrimidin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145057061
2-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145057514
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-phenylisoquinolin-1-one
CID 144824029
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one
CID 144927019
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(2-methylpyrazol-3-yl)ethynyl]-3-(2,3,4,5,6-pentahydroxyphenyl)quinazolin-4-one
CID 144926697
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-(1-ethylpyrazol-4-yl)-2-phenylisoquinolin-1-one
CID 144823985
2-amino-N-[1-[1-oxo-2-phenyl-8-(2-phenylethynyl)isoquinolin-3-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144825002
2-amino-N-[1-[8-(3,3-diethoxyprop-1-ynyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144927086
2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144824375
2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one
CID 145415578
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-aminoethyl)-8-chloro-3-ethylisoquinolin-1-one
CID 144824131

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one (CID 145057354) is 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one is CC#Cc1coc2nc(CC)n(-c3ccccc3)c(=O)c12.NC(=O)c1c(N)nn2c1NCC=C2.
What is the InChIKey of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one?
The InChIKey is NQWSEVDKXFTIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2.C7H9N5O/c1-3-8-12-11-21-16-15(12)17(20)19(14(4-2)18-16)13-9-6-5-7-10-13;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h5-7,9-11H,4H2,1-2H3;1,3,10H,2H2,(H2,8,11)(H2,9,13).
What are the key properties of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one?
2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one has a molecular weight of 457.49 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-prop-1-ynylfuro[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 145057354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).