6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one

C17H14N6O — CID 134810877

IUPAC6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCn1nccc1-c1ccc2ncn(Cc3ccccn3)c(=O)c2n1
InChIInChI=1S/C17H14N6O/c1-22-15(7-9-20-22)13-5-6-14-16(21-13)17(24)23(11-19-14)10-12-4-2-3-8-18-12/h2-9,11H,10H2,1H3
InChIKeyJOSSMLQRDKOHHW-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.64
Rot. Bonds3

About 6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one

6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810877) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810877
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCn1nccc1-c1ccc2ncn(Cc3ccccn3)c(=O)c2n1
InChIInChI=1S/C17H14N6O/c1-22-15(7-9-20-22)13-5-6-14-16(21-13)17(24)23(11-19-14)10-12-4-2-3-8-18-12/h2-9,11H,10H2,1H3
InChIKeyJOSSMLQRDKOHHW-UHFFFAOYSA-N
XLogP1.64
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810877) is 6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one is Cn1nccc1-c1ccc2ncn(Cc3ccccn3)c(=O)c2n1.
What is the InChIKey of 6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is JOSSMLQRDKOHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-22-15(7-9-20-22)13-5-6-14-16(21-13)17(24)23(11-19-14)10-12-4-2-3-8-18-12/h2-9,11H,10H2,1H3.
What are the key properties of 6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one?
6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 318.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrazol-3-yl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).