2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one

C11H9N5O — CID 177336278

IUPAC2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one
SMILESC=C1NC(=O)c2cccnc2N1c1cn[nH]c1
InChIInChI=1S/C11H9N5O/c1-7-15-11(17)9-3-2-4-12-10(9)16(7)8-5-13-14-6-8/h2-6H,1H2,(H,13,14)(H,15,17)
InChIKeyVSBUTVUZFRGTCF-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.16
Rot. Bonds1

About 2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one

2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 177336278) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID177336278
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one
SMILESC=C1NC(=O)c2cccnc2N1c1cn[nH]c1
InChIInChI=1S/C11H9N5O/c1-7-15-11(17)9-3-2-4-12-10(9)16(7)8-5-13-14-6-8/h2-6H,1H2,(H,13,14)(H,15,17)
InChIKeyVSBUTVUZFRGTCF-UHFFFAOYSA-N
XLogP1.16
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one (CID 177336278) is 2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one is C=C1NC(=O)c2cccnc2N1c1cn[nH]c1.
What is the InChIKey of 2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is VSBUTVUZFRGTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-7-15-11(17)9-3-2-4-12-10(9)16(7)8-5-13-14-6-8/h2-6H,1H2,(H,13,14)(H,15,17).
What are the key properties of 2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one?
2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 227.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 177336278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).