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

C21H21ClN6O — CID 137373864

IUPAC2-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cc(-c2cc(=O)n3cc(C4=CCNCC4)ccc3n2)nc2cn(C)nc12.Cl
InChIInChI=1S/C21H20N6O.ClH/c1-13-9-16(23-18-12-26(2)25-21(13)18)17-10-20(28)27-11-15(3-4-19(27)24-17)14-5-7-22-8-6-14;/h3-5,9-12,22H,6-8H2,1-2H3;1H
InChIKeySIEMDXJQDGBJSQ-UHFFFAOYSA-N
MW408.89 g/mol
LogP2.75
Rot. Bonds2

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

2-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 137373864) has the molecular formula C21H21ClN6O and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID137373864
Molecular FormulaC21H21ClN6O
Molecular Weight408.89 g/mol
Exact Mass408.15
IUPAC Name2-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cc(-c2cc(=O)n3cc(C4=CCNCC4)ccc3n2)nc2cn(C)nc12.Cl
InChIInChI=1S/C21H20N6O.ClH/c1-13-9-16(23-18-12-26(2)25-21(13)18)17-10-20(28)27-11-15(3-4-19(27)24-17)14-5-7-22-8-6-14;/h3-5,9-12,22H,6-8H2,1-2H3;1H
InChIKeySIEMDXJQDGBJSQ-UHFFFAOYSA-N
XLogP2.75
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 135158805
2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 170019181
7-[4-(dimethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-morpholin-4-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 161171166
4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine
CID 122588789
4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine
CID 118144094
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 157279004
2-[3-methanimidoyl-4-(methylamino)phenyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrazino[1,2-a]pyrimidin-4-one
CID 144885176
7-(2,7-diazaspiro[3.5]nonan-2-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
CID 122703251
1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole
CID 90748214
2-[6-(azetidin-3-yl)pyridazin-3-yl]-5-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)phenol;ethane
CID 168895712
7-[(3S)-3-methylpiperazin-1-yl]-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
CID 122703208

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 137373864) is 2-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1cc(-c2cc(=O)n3cc(C4=CCNCC4)ccc3n2)nc2cn(C)nc12.Cl.
What is the InChIKey of 2-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is SIEMDXJQDGBJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O.ClH/c1-13-9-16(23-18-12-26(2)25-21(13)18)17-10-20(28)27-11-15(3-4-19(27)24-17)14-5-7-22-8-6-14;/h3-5,9-12,22H,6-8H2,1-2H3;1H.
What are the key properties of 2-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-(2,7-dimethylpyrazolo[4,3-b]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 408.89 g/mol, XLogP of 2.75, 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[4,3-b]pyridin-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 137373864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).