2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C21H20N6O — CID 137374031

IUPAC2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc(-c2cc(=O)n3cc(C4=CCNCC4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C21H20N6O/c1-13-21-16(11-26(2)25-21)9-17(23-13)18-10-20(28)27-12-15(3-4-19(27)24-18)14-5-7-22-8-6-14/h3-5,9-12,22H,6-8H2,1-2H3
InChIKeyGADCDJGDIDTWGG-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.33
Rot. Bonds2

About 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 137374031) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID137374031
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc(-c2cc(=O)n3cc(C4=CCNCC4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C21H20N6O/c1-13-21-16(11-26(2)25-21)9-17(23-13)18-10-20(28)27-12-15(3-4-19(27)24-18)14-5-7-22-8-6-14/h3-5,9-12,22H,6-8H2,1-2H3
InChIKeyGADCDJGDIDTWGG-UHFFFAOYSA-N
XLogP2.33
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

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2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)-acetamide
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7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
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2-(4,6-Dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
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7-(4-Cyclopropylpiperazin-1-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
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2-(4-Ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
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2-(4,6-Dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89740996

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 137374031) is 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1nc(-c2cc(=O)n3cc(C4=CCNCC4)ccc3n2)cc2cn(C)nc12.
What is the InChIKey of 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GADCDJGDIDTWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-13-21-16(11-26(2)25-21)9-17(23-13)18-10-20(28)27-12-15(3-4-19(27)24-18)14-5-7-22-8-6-14/h3-5,9-12,22H,6-8H2,1-2H3.
What are the key properties of 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 372.43 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethylpyrazolo[3,4-c]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137374031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).