methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate

C25H27N5O6 — CID 66669151

IUPACmethyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(N3CCNCC3=O)cc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1
InChIInChI=1S/C25H27N5O6/c1-34-25(33)21-22(36-16-17-5-3-2-4-6-17)24(32)30-15-18(28-9-11-35-12-10-28)13-19(23(30)27-21)29-8-7-26-14-20(29)31/h2-6,13,15,26H,7-12,14,16H2,1H3
InChIKeyOCRPYOSQFVPLRC-UHFFFAOYSA-N
MW493.52 g/mol
LogP0.83
Rot. Bonds6

About methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate

methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 66669151) has the molecular formula C25H27N5O6 and a molecular weight of 493.52 g/mol. Its IUPAC name is methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID66669151
Molecular FormulaC25H27N5O6
Molecular Weight493.52 g/mol
Exact Mass493.20
IUPAC Namemethyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(N3CCNCC3=O)cc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1
InChIInChI=1S/C25H27N5O6/c1-34-25(33)21-22(36-16-17-5-3-2-4-6-17)24(32)30-15-18(28-9-11-35-12-10-28)13-19(23(30)27-21)29-8-7-26-14-20(29)31/h2-6,13,15,26H,7-12,14,16H2,1H3
InChIKeyOCRPYOSQFVPLRC-UHFFFAOYSA-N
XLogP0.83
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate with MolForge

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Related Compounds

methyl 7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
CID 58148020
7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 71029082
methyl 9-(benzhydrylideneamino)-3-butoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 88561567
9-bromo-N-[3-(4-fluorophenyl)-2-oxopropyl]-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 66953351
N-[(4-fluorophenyl)methyl]-7-(3-methylmorpholin-4-yl)-9-(4-methyl-2-oxopiperazin-1-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 123464185
2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9-(2-oxopiperazin-1-yl)-7-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 158964968
9-(4-tert-butyl-2-oxopiperazin-1-yl)-7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 123833250
N-[3-(4-fluorophenyl)-2-oxopropyl]-3-methyl-7-morpholin-4-yl-4-oxo-9-(2-oxopyrrolidin-1-yl)pyrido[1,2-a]pyrimidine-2-carboxamide
CID 91608275
7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 123700929
methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 66668475
methyl 3-butoxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboximidothioate
CID 88975893
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine-2-carboxamide
CID 66668074

Frequently Asked Questions

What is the IUPAC name of methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate (CID 66669151) is methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2c(N3CCNCC3=O)cc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1.
What is the InChIKey of methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is OCRPYOSQFVPLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O6/c1-34-25(33)21-22(36-16-17-5-3-2-4-6-17)24(32)30-15-18(28-9-11-35-12-10-28)13-19(23(30)27-21)29-8-7-26-14-20(29)31/h2-6,13,15,26H,7-12,14,16H2,1H3.
What are the key properties of methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 493.52 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 66669151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).