2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one

C26H34N4O2 — CID 142510984

IUPAC2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cc(N4CCCC(C)C(C)CC4)ccc3n2)cc1N(C)C
InChIInChI=1S/C26H34N4O2/c1-18-7-6-13-29(14-12-19(18)2)21-9-11-25-27-22(16-26(31)30(25)17-21)20-8-10-24(32-5)23(15-20)28(3)4/h8-11,15-19H,6-7,12-14H2,1-5H3
InChIKeyJPJAUXQBJZJROS-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.70
Rot. Bonds4

About 2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one

2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 142510984) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID142510984
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cc(N4CCCC(C)C(C)CC4)ccc3n2)cc1N(C)C
InChIInChI=1S/C26H34N4O2/c1-18-7-6-13-29(14-12-19(18)2)21-9-11-25-27-22(16-26(31)30(25)17-21)20-8-10-24(32-5)23(15-20)28(3)4/h8-11,15-19H,6-7,12-14H2,1-5H3
InChIKeyJPJAUXQBJZJROS-UHFFFAOYSA-N
XLogP4.70
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)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
CID 158388470
7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 145200029
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
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-(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
7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 123613803
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
7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 159898287
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 162205983
7-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 160832050
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 142510984) is 2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cc(=O)n3cc(N4CCCC(C)C(C)CC4)ccc3n2)cc1N(C)C.
What is the InChIKey of 2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JPJAUXQBJZJROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-18-7-6-13-29(14-12-19(18)2)21-9-11-25-27-22(16-26(31)30(25)17-21)20-8-10-24(32-5)23(15-20)28(3)4/h8-11,15-19H,6-7,12-14H2,1-5H3.
What are the key properties of 2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one?
2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 434.58 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142510984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).