7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one

C21H21N7O — CID 123495828

IUPAC7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2nc(-c3cc(=O)n4cc(N5CC6CC5CN6)ccc4n3)cc2c(C)n1
InChIInChI=1S/C21H21N7O/c1-12-9-28-19(13(2)23-12)6-18(25-28)17-7-21(29)27-11-15(3-4-20(27)24-17)26-10-14-5-16(26)8-22-14/h3-4,6-7,9,11,14,16,22H,5,8,10H2,1-2H3
InChIKeyLSIRNAZDPNGFAK-UHFFFAOYSA-N
MW387.45 g/mol
LogP1.57
Rot. Bonds2

About 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one

7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 123495828) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID123495828
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2nc(-c3cc(=O)n4cc(N5CC6CC5CN6)ccc4n3)cc2c(C)n1
InChIInChI=1S/C21H21N7O/c1-12-9-28-19(13(2)23-12)6-18(25-28)17-7-21(29)27-11-15(3-4-20(27)24-17)26-10-14-5-16(26)8-22-14/h3-4,6-7,9,11,14,16,22H,5,8,10H2,1-2H3
InChIKeyLSIRNAZDPNGFAK-UHFFFAOYSA-N
XLogP1.57
TPSA79.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 123762231
2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 123942894
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 158958021
7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 118037489
7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 123320681
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-piperidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 161278144
7-(3,5-dimethylpiperazin-1-yl)-9-methyl-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one
CID 129143853
7-[(8aR)-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;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;2-(3,4-dimethoxyphenyl)-7-[(3R)-3,4-dimethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 159290408
7-(1-cyclobutylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 159404900
7-[(3S)-3-(diethylaminomethyl)pyrrolidin-1-yl]-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 160773440
7-(2,7-diazaspiro[3.5]nonan-7-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
CID 159040772
7-(3-aminoprop-1-ynyl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 134432923

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one (CID 123495828) is 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cn2nc(-c3cc(=O)n4cc(N5CC6CC5CN6)ccc4n3)cc2c(C)n1.
What is the InChIKey of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LSIRNAZDPNGFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-12-9-28-19(13(2)23-12)6-18(25-28)17-7-21(29)27-11-15(3-4-20(27)24-17)26-10-14-5-16(26)8-22-14/h3-4,6-7,9,11,14,16,22H,5,8,10H2,1-2H3.
What are the key properties of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one?
7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 387.45 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123495828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).