2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C15H13N5OS — CID 75439548

IUPAC2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCn1cc(C2NC(=O)c3cccnc3N2)c(-c2cccs2)n1
InChIInChI=1S/C15H13N5OS/c1-20-8-10(12(19-20)11-5-3-7-22-11)14-17-13-9(15(21)18-14)4-2-6-16-13/h2-8,14H,1H3,(H,16,17)(H,18,21)
InChIKeyUXBJOVGBQUWBJI-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.40
Rot. Bonds2

About 2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 75439548) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID75439548
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCn1cc(C2NC(=O)c3cccnc3N2)c(-c2cccs2)n1
InChIInChI=1S/C15H13N5OS/c1-20-8-10(12(19-20)11-5-3-7-22-11)14-17-13-9(15(21)18-14)4-2-6-16-13/h2-8,14H,1H3,(H,16,17)(H,18,21)
InChIKeyUXBJOVGBQUWBJI-UHFFFAOYSA-N
XLogP2.40
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 75439548) is 2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is Cn1cc(C2NC(=O)c3cccnc3N2)c(-c2cccs2)n1.
What is the InChIKey of 2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is UXBJOVGBQUWBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-20-8-10(12(19-20)11-5-3-7-22-11)14-17-13-9(15(21)18-14)4-2-6-16-13/h2-8,14H,1H3,(H,16,17)(H,18,21).
What are the key properties of 2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 311.37 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 75439548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).