7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide

C28H28FN5O5 — CID 123700929

IUPAC7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCN(C)c1cc(N2CCOC2O)c2nc(C(=O)NCc3ccc(F)cc3)c(OCc3ccccc3)c(=O)n2c1
InChIInChI=1S/C28H28FN5O5/c1-32(2)21-14-22(33-12-13-38-28(33)37)25-31-23(26(35)30-15-18-8-10-20(29)11-9-18)24(27(36)34(25)16-21)39-17-19-6-4-3-5-7-19/h3-11,14,16,28,37H,12-13,15,17H2,1-2H3,(H,30,35)
InChIKeyLNTABYWIONSYLY-UHFFFAOYSA-N
MW533.56 g/mol
LogP2.52
Rot. Bonds8

About 7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide

7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 123700929) has the molecular formula C28H28FN5O5 and a molecular weight of 533.56 g/mol. Its IUPAC name is 7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID123700929
Molecular FormulaC28H28FN5O5
Molecular Weight533.56 g/mol
Exact Mass533.21
IUPAC Name7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCN(C)c1cc(N2CCOC2O)c2nc(C(=O)NCc3ccc(F)cc3)c(OCc3ccccc3)c(=O)n2c1
InChIInChI=1S/C28H28FN5O5/c1-32(2)21-14-22(33-12-13-38-28(33)37)25-31-23(26(35)30-15-18-8-10-20(29)11-9-18)24(27(36)34(25)16-21)39-17-19-6-4-3-5-7-19/h3-11,14,16,28,37H,12-13,15,17H2,1-2H3,(H,30,35)
InChIKeyLNTABYWIONSYLY-UHFFFAOYSA-N
XLogP2.52
TPSA108.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.56
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

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-[(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
acetamide;N-[(4-fluorophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 143478015
7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 59392913
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]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
CID 69477753
N-[(4-fluoro-2-methylphenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 58703935
N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-N,9-dimethyl-4-oxo-3-phenylmethoxy-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 71057325
methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
CID 66669151
N-[[2-(cyclopropylcarbamoyl)-4-fluorophenyl]methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21069990
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
1-[6-[(4-fluorophenyl)methylcarbamoyl]-4,5-bis(phenylmethoxy)-2-pyridinyl]ethyl methanesulfonate
CID 87848765

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 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) is 7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide is CN(C)c1cc(N2CCOC2O)c2nc(C(=O)NCc3ccc(F)cc3)c(OCc3ccccc3)c(=O)n2c1.
What is the InChIKey of 7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is LNTABYWIONSYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O5/c1-32(2)21-14-22(33-12-13-38-28(33)37)25-31-23(26(35)30-15-18-8-10-20(29)11-9-18)24(27(36)34(25)16-21)39-17-19-6-4-3-5-7-19/h3-11,14,16,28,37H,12-13,15,17H2,1-2H3,(H,30,35).
What are the key properties of 7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide?
7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 533.56 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-N-[(4-fluorophenyl)methyl]-9-(2-hydroxy-1,3-oxazolidin-3-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 123700929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).