7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one

C27H30N6O — CID 162080152

IUPAC7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESC=C1CN(c2ccc3nc(-c4cc(CC)c5nc(C)cn5c4)cc(=O)n3c2)CCN1C1CCC1
InChIInChI=1S/C27H30N6O/c1-4-20-12-21(16-31-14-18(2)28-27(20)31)24-13-26(34)33-17-23(8-9-25(33)29-24)30-10-11-32(19(3)15-30)22-6-5-7-22/h8-9,12-14,16-17,22H,3-7,10-11,15H2,1-2H3
InChIKeyZCFQRDXDKVBOEV-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.07
Rot. Bonds4

About 7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one

7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 162080152) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID162080152
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESC=C1CN(c2ccc3nc(-c4cc(CC)c5nc(C)cn5c4)cc(=O)n3c2)CCN1C1CCC1
InChIInChI=1S/C27H30N6O/c1-4-20-12-21(16-31-14-18(2)28-27(20)31)24-13-26(34)33-17-23(8-9-25(33)29-24)30-10-11-32(19(3)15-30)22-6-5-7-22/h8-9,12-14,16-17,22H,3-7,10-11,15H2,1-2H3
InChIKeyZCFQRDXDKVBOEV-UHFFFAOYSA-N
XLogP4.07
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 157075719
2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 71711544
7-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 160970620
7-(3-ethylpyrrolidin-1-yl)-2-(3-ethylsulfanyl-4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 142511145
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
7-(1-ethylpiperidin-4-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-9-methylpyrazino[1,2-a]pyrimidin-4-one
CID 137374129
7-(3-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 123177100
7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 156888579
7-[(3S)-3-methylpiperazin-1-yl]-2-phenylpyrido[1,2-a]pyrimidin-4-one;2-phenyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 157433400
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-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[1-(2-hydroxyethyl)piperidin-4-yl]pyrimido[1,2-b]pyridazin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(5,7-dimethylfuro[2,3-c]pyridin-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 158778464
2-[(2Z,7Z,9Z)-8,11-dimethyl-1-azacycloundeca-2,7,9-trien-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 142511402

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one (CID 162080152) is 7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one is C=C1CN(c2ccc3nc(-c4cc(CC)c5nc(C)cn5c4)cc(=O)n3c2)CCN1C1CCC1.
What is the InChIKey of 7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZCFQRDXDKVBOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-4-20-12-21(16-31-14-18(2)28-27(20)31)24-13-26(34)33-17-23(8-9-25(33)29-24)30-10-11-32(19(3)15-30)22-6-5-7-22/h8-9,12-14,16-17,22H,3-7,10-11,15H2,1-2H3.
What are the key properties of 7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one?
7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 454.58 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclobutyl-3-methylidenepiperazin-1-yl)-2-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 162080152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).