2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile

C15H12FN5O — CID 135491874

IUPAC2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC1=C(C#N)C(c2ccc(F)cc2)c2c(nc(N)[nH]c2=O)N1
InChIInChI=1S/C15H12FN5O/c1-7-10(6-17)11(8-2-4-9(16)5-3-8)12-13(19-7)20-15(18)21-14(12)22/h2-5,11H,1H3,(H4,18,19,20,21,22)
InChIKeyLIKCSIXAFOCRIJ-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.85
Rot. Bonds1

About 2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile

2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 135491874) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID135491874
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC Name2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC1=C(C#N)C(c2ccc(F)cc2)c2c(nc(N)[nH]c2=O)N1
InChIInChI=1S/C15H12FN5O/c1-7-10(6-17)11(8-2-4-9(16)5-3-8)12-13(19-7)20-15(18)21-14(12)22/h2-5,11H,1H3,(H4,18,19,20,21,22)
InChIKeyLIKCSIXAFOCRIJ-UHFFFAOYSA-N
XLogP1.85
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 135491874) is 2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile is CC1=C(C#N)C(c2ccc(F)cc2)c2c(nc(N)[nH]c2=O)N1.
What is the InChIKey of 2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is LIKCSIXAFOCRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c1-7-10(6-17)11(8-2-4-9(16)5-3-8)12-13(19-7)20-15(18)21-14(12)22/h2-5,11H,1H3,(H4,18,19,20,21,22).
What are the key properties of 2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 297.29 g/mol, XLogP of 1.85, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 135491874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).