7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide

C23H17BrFN3O3 — CID 59392913

IUPAC7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2ccc(Br)cn2c(=O)c1OCc1ccccc1
InChIInChI=1S/C23H17BrFN3O3/c24-17-8-11-19-27-20(22(29)26-12-15-6-9-18(25)10-7-15)21(23(30)28(19)13-17)31-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,26,29)
InChIKeyNDMLTNZPQPULFW-UHFFFAOYSA-N
MW482.31 g/mol
LogP4.11
Rot. Bonds6

About 7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide

7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 59392913) has the molecular formula C23H17BrFN3O3 and a molecular weight of 482.31 g/mol. Its IUPAC name is 7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID59392913
Molecular FormulaC23H17BrFN3O3
Molecular Weight482.31 g/mol
Exact Mass481.04
IUPAC Name7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2ccc(Br)cn2c(=O)c1OCc1ccccc1
InChIInChI=1S/C23H17BrFN3O3/c24-17-8-11-19-27-20(22(29)26-12-15-6-9-18(25)10-7-15)21(23(30)28(19)13-17)31-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,26,29)
InChIKeyNDMLTNZPQPULFW-UHFFFAOYSA-N
XLogP4.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
CID 69477753
7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 59392894
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
7-iodo-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 91216154
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
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
2-[1-(4-bromophenyl)-2-phenylethyl]-N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxamide
CID 59346698
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,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 68677998
1-[6-[(4-fluorophenyl)methylcarbamoyl]-4,5-bis(phenylmethoxy)-2-pyridinyl]ethyl methanesulfonate
CID 87848765
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylic acid
CID 152765811

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide (CID 59392913) is 7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1nc2ccc(Br)cn2c(=O)c1OCc1ccccc1.
What is the InChIKey of 7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is NDMLTNZPQPULFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrFN3O3/c24-17-8-11-19-27-20(22(29)26-12-15-6-9-18(25)10-7-15)21(23(30)28(19)13-17)31-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,26,29).
What are the key properties of 7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide?
7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 482.31 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(4-fluorophenyl)methyl]-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 59392913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).