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

C41H44F2N8O4 — CID 158388470

IUPAC7-(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
SMILESCNC1CCN(c2ccc3nc(-c4ccc(OC)c(F)c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(N4CCC(N)CC4)ccc3n2)cc1F
InChIInChI=1S/C21H23FN4O2.C20H21FN4O2/c1-23-15-7-9-25(10-8-15)16-4-6-20-24-18(12-21(27)26(20)13-16)14-3-5-19(28-2)17(22)11-14;1-27-18-4-2-13(10-16(18)21)17-11-20(26)25-12-15(3-5-19(25)23-17)24-8-6-14(22)7-9-24/h3-6,11-13,15,23H,7-10H2,1-2H3;2-5,10-12,14H,6-9,22H2,1H3
InChIKeyGWQORTLYILFPAG-UHFFFAOYSA-N
MW750.85 g/mol
LogP5.13
Rot. Bonds7

About 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

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 (PubChem CID 158388470) has the molecular formula C41H44F2N8O4 and a molecular weight of 750.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID158388470
Molecular FormulaC41H44F2N8O4
Molecular Weight750.85 g/mol
Exact Mass750.35
IUPAC Name7-(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
SMILESCNC1CCN(c2ccc3nc(-c4ccc(OC)c(F)c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(N4CCC(N)CC4)ccc3n2)cc1F
InChIInChI=1S/C21H23FN4O2.C20H21FN4O2/c1-23-15-7-9-25(10-8-15)16-4-6-20-24-18(12-21(27)26(20)13-16)14-3-5-19(28-2)17(22)11-14;1-27-18-4-2-13(10-16(18)21)17-11-20(26)25-12-15(3-5-19(25)23-17)24-8-6-14(22)7-9-24/h3-6,11-13,15,23H,7-10H2,1-2H3;2-5,10-12,14H,6-9,22H2,1H3
InChIKeyGWQORTLYILFPAG-UHFFFAOYSA-N
XLogP5.13
TPSA131.73 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500750.85
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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
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-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 142510984
7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 145200029
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-[(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-(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-(3,4-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-(2-aminoethylamino)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 142511343
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
7-(3-ethylpyrrolidin-1-yl)-2-(3-ethylsulfanyl-4-methylphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 142511145
5-(3-fluoro-4-methoxyphenyl)-1-methyl-2-[4-(methylamino)piperidin-1-yl]-6-oxopyrimidine-4-carbonitrile
CID 118489787

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC1CCN(c2ccc3nc(-c4ccc(OC)c(F)c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(N4CCC(N)CC4)ccc3n2)cc1F.
What is the InChIKey of 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?
The InChIKey is GWQORTLYILFPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2.C20H21FN4O2/c1-23-15-7-9-25(10-8-15)16-4-6-20-24-18(12-21(27)26(20)13-16)14-3-5-19(28-2)17(22)11-14;1-27-18-4-2-13(10-16(18)21)17-11-20(26)25-12-15(3-5-19(25)23-17)24-8-6-14(22)7-9-24/h3-6,11-13,15,23H,7-10H2,1-2H3;2-5,10-12,14H,6-9,22H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 750.85 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158388470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).