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

C24H31N5O — CID 142511402

IUPAC2-[(2Z,7Z,9Z)-8,11-dimethyl-1-azacycloundeca-2,7,9-trien-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC1=C/CCC/C=C(/c2cc(=O)n3cc(N4CCNCC4)ccc3n2)NC(C)/C=C\1
InChIInChI=1S/C24H31N5O/c1-18-6-4-3-5-7-21(26-19(2)9-8-18)22-16-24(30)29-17-20(10-11-23(29)27-22)28-14-12-25-13-15-28/h6-11,16-17,19,25-26H,3-5,12-15H2,1-2H3/b9-8-,18-6-,21-7-
InChIKeyHWVCSGZDOIUPCH-WSBZJFRWSA-N
MW405.55 g/mol
LogP3.11
Rot. Bonds2

About 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

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 (PubChem CID 142511402) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(2Z,7Z,9Z)-8,11-dimethyl-1-azacycloundeca-2,7,9-trien-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID142511402
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name2-[(2Z,7Z,9Z)-8,11-dimethyl-1-azacycloundeca-2,7,9-trien-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC1=C/CCC/C=C(/c2cc(=O)n3cc(N4CCNCC4)ccc3n2)NC(C)/C=C\1
InChIInChI=1S/C24H31N5O/c1-18-6-4-3-5-7-21(26-19(2)9-8-18)22-16-24(30)29-17-20(10-11-23(29)27-22)28-14-12-25-13-15-28/h6-11,16-17,19,25-26H,3-5,12-15H2,1-2H3/b9-8-,18-6-,21-7-
InChIKeyHWVCSGZDOIUPCH-WSBZJFRWSA-N
XLogP3.11
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-(3-methylphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 71711544
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-(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-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 137374099
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
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
2-[(Z)-1-iminobut-2-en-2-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 142511099
7-(3-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 123177100
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-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 162119615
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
7-(1,4-diazepan-1-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 157275267

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C/CCC/C=C(/c2cc(=O)n3cc(N4CCNCC4)ccc3n2)NC(C)/C=C\1.
What is the InChIKey of 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?
The InChIKey is HWVCSGZDOIUPCH-WSBZJFRWSA-N. The full InChI is InChI=1S/C24H31N5O/c1-18-6-4-3-5-7-21(26-19(2)9-8-18)22-16-24(30)29-17-20(10-11-23(29)27-22)28-14-12-25-13-15-28/h6-11,16-17,19,25-26H,3-5,12-15H2,1-2H3/b9-8-,18-6-,21-7-.
What are the key properties of 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?
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 has a molecular weight of 405.55 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142511402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).