3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile

C15H14N6O — CID 2378460

IUPAC3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
SMILES[H]/N=c1\c2cnn(CCC#N)c2ncn1-c1ccc(OC)cc1
InChIInChI=1S/C15H14N6O/c1-22-12-5-3-11(4-6-12)20-10-18-15-13(14(20)17)9-19-21(15)8-2-7-16/h3-6,9-10,17H,2,8H2,1H3/b17-14+
InChIKeyUSMPXAUXEDVANL-SAPNQHFASA-N
MW294.32 g/mol
LogP1.62
Rot. Bonds4

About 3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile

3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile (PubChem CID 2378460) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
PubChem CID2378460
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
SMILES[H]/N=c1\c2cnn(CCC#N)c2ncn1-c1ccc(OC)cc1
InChIInChI=1S/C15H14N6O/c1-22-12-5-3-11(4-6-12)20-10-18-15-13(14(20)17)9-19-21(15)8-2-7-16/h3-6,9-10,17H,2,8H2,1H3/b17-14+
InChIKeyUSMPXAUXEDVANL-SAPNQHFASA-N
XLogP1.62
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Fpl 62064
CID 128268
4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-methoxyphenyl)-
CID 377463
1-(4-Methoxy-phenyl)-5-(2-oxo-propyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 1433727
5-amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carbonitrile
CID 2763873
1-(4-Methoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24873856
1-cyclopentyl-6-(4-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136969925
4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidine-4-thione, 1,8-dihydro-8-(4-methoxyphenyl)-
CID 3072263
1-(4-Methoxyphenyl)-1H-pyrazol-3-amine
CID 16740655
5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 19855984
1-(4-Methoxyphenyl)-1H-pyrazol-5-amine
CID 21812829
4-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)benzonitrile
CID 46231474
1-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)pyrazol-5-amine
CID 145977468

Frequently Asked Questions

What is the IUPAC name of 3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile (CID 2378460) is 3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile is [H]/N=c1\c2cnn(CCC#N)c2ncn1-c1ccc(OC)cc1.
What is the InChIKey of 3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile?
The InChIKey is USMPXAUXEDVANL-SAPNQHFASA-N. The full InChI is InChI=1S/C15H14N6O/c1-22-12-5-3-11(4-6-12)20-10-18-15-13(14(20)17)9-19-21(15)8-2-7-16/h3-6,9-10,17H,2,8H2,1H3/b17-14+.
What are the key properties of 3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile?
3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile has a molecular weight of 294.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile is sourced from PubChem (CID 2378460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).