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

C25H29N7O2 — CID 123942894

IUPAC2-(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
SMILESCCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN(C6COC6)C(C)C5)ccc4n3)cc12
InChIInChI=1S/C25H29N7O2/c1-4-20-23-9-22(28-32(23)11-16(2)26-20)21-10-25(33)31-13-18(5-6-24(31)27-21)29-7-8-30(17(3)12-29)19-14-34-15-19/h5-6,9-11,13,17,19H,4,7-8,12,14-15H2,1-3H3
InChIKeyZVYONRPFLRGVGV-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.18
Rot. Bonds4

About 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

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 (PubChem CID 123942894) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID123942894
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name2-(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
SMILESCCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN(C6COC6)C(C)C5)ccc4n3)cc12
InChIInChI=1S/C25H29N7O2/c1-4-20-23-9-22(28-32(23)11-16(2)26-20)21-10-25(33)31-13-18(5-6-24(31)27-21)29-7-8-30(17(3)12-29)19-14-34-15-19/h5-6,9-11,13,17,19H,4,7-8,12,14-15H2,1-3H3
InChIKeyZVYONRPFLRGVGV-UHFFFAOYSA-N
XLogP2.18
TPSA80.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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
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
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-(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
7-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]-2-(3-propanimidoyl-1H-pyrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 163761918
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
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
8-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-3-(3-methyl-4-propylpiperazin-1-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123624048
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-(2-azaspiro[4.4]nonan-8-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(3-piperidin-1-ylazetidin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(6-methyl-4-propylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 162016690
2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 145199983
7-(3-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 123177100

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN(C6COC6)C(C)C5)ccc4n3)cc12.
What is the InChIKey of 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?
The InChIKey is ZVYONRPFLRGVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-4-20-23-9-22(28-32(23)11-16(2)26-20)21-10-25(33)31-13-18(5-6-24(31)27-21)29-7-8-30(17(3)12-29)19-14-34-15-19/h5-6,9-11,13,17,19H,4,7-8,12,14-15H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 459.55 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123942894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).