2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C24H28N6O — CID 145200180

IUPAC2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1=CN2C=C(c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)C=C(C3CC3)C2N1
InChIInChI=1S/C24H28N6O/c1-15-11-28(8-7-25-15)19-5-6-22-27-21(10-23(31)30(22)14-19)18-9-20(17-3-4-17)24-26-16(2)12-29(24)13-18/h5-6,9-10,12-15,17,24-26H,3-4,7-8,11H2,1-2H3/t15-,24?/m0/s1
InChIKeyAYAHOFJNNITMLO-FZADBTJQSA-N
MW416.53 g/mol
LogP2.28
Rot. Bonds3

About 2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 145200180) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID145200180
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1=CN2C=C(c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)C=C(C3CC3)C2N1
InChIInChI=1S/C24H28N6O/c1-15-11-28(8-7-25-15)19-5-6-22-27-21(10-23(31)30(22)14-19)18-9-20(17-3-4-17)24-26-16(2)12-29(24)13-18/h5-6,9-10,12-15,17,24-26H,3-4,7-8,11H2,1-2H3/t15-,24?/m0/s1
InChIKeyAYAHOFJNNITMLO-FZADBTJQSA-N
XLogP2.28
TPSA64.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-(3-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 123177100
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-[(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
2-(3,4-dimethoxyphenyl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 159440378
7-(4-methyl-1,4-diazepan-1-yl)-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-methylpiperazin-1-yl]-2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;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;2-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 159637262
2-(3-fluoro-4-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 137374142
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-[(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
2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 71711544
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
2-(3-chloro-5-fluorophenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-chloro-5-fluorophenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(1-methylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylpyrazol-4-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 157086219
2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[4-methoxy-3-(trifluoromethoxy)phenyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-[4-methoxy-3-(trifluoromethoxy)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[3-(trifluoromethoxy)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 158008696

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 145200180) is 2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is CC1=CN2C=C(c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)C=C(C3CC3)C2N1.
What is the InChIKey of 2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AYAHOFJNNITMLO-FZADBTJQSA-N. The full InChI is InChI=1S/C24H28N6O/c1-15-11-28(8-7-25-15)19-5-6-22-27-21(10-23(31)30(22)14-19)18-9-20(17-3-4-17)24-26-16(2)12-29(24)13-18/h5-6,9-10,12-15,17,24-26H,3-4,7-8,11H2,1-2H3/t15-,24?/m0/s1.
What are the key properties of 2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 416.53 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclopropyl-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 145200180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).