3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C24H26N6O3 — CID 136630995

IUPAC3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCNc1cc(N2CCOCC2)cn2c(=O)c(O)c(-c3ncc(Cc4ccc(C)cc4)[nH]3)nc12
InChIInChI=1S/C24H26N6O3/c1-15-3-5-16(6-4-15)11-17-13-26-22(27-17)20-21(31)24(32)30-14-18(29-7-9-33-10-8-29)12-19(25-2)23(30)28-20/h3-6,12-14,25,31H,7-11H2,1-2H3,(H,26,27)
InChIKeyNYBOEPDRRQYIFU-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.57
Rot. Bonds5

About 3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 136630995) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID136630995
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCNc1cc(N2CCOCC2)cn2c(=O)c(O)c(-c3ncc(Cc4ccc(C)cc4)[nH]3)nc12
InChIInChI=1S/C24H26N6O3/c1-15-3-5-16(6-4-15)11-17-13-26-22(27-17)20-21(31)24(32)30-14-18(29-7-9-33-10-8-29)12-19(25-2)23(30)28-20/h3-6,12-14,25,31H,7-11H2,1-2H3,(H,26,27)
InChIKeyNYBOEPDRRQYIFU-UHFFFAOYSA-N
XLogP2.57
TPSA107.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 143919832
4-[9-[ethyl(sulfinato)amino]-2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl]morpholine
CID 137092081
3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 136597975
9-chloro-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54729447
3-[2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one
CID 91025152
methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 66668475
3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 123615856
2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide
CID 135911605
2-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-(4-propan-2-ylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 135908116
2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 58101074
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54732406
5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide
CID 135911588

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 136630995) is 3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is CNc1cc(N2CCOCC2)cn2c(=O)c(O)c(-c3ncc(Cc4ccc(C)cc4)[nH]3)nc12.
What is the InChIKey of 3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NYBOEPDRRQYIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-15-3-5-16(6-4-15)11-17-13-26-22(27-17)20-21(31)24(32)30-14-18(29-7-9-33-10-8-29)12-19(25-2)23(30)28-20/h3-6,12-14,25,31H,7-11H2,1-2H3,(H,26,27).
What are the key properties of 3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 446.51 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 136630995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).