9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one

C24H19ClF4N6O3 — CID 177152144

IUPAC9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(Cl)cc3F)nc(N3CCN(C(=O)c4cc(C(F)(F)F)no4)CC3)cn2c(=O)c1C
InChIInChI=1S/C24H19ClF4N6O3/c1-12-13(2)30-21-20(15-4-3-14(25)9-16(15)26)31-19(11-35(21)22(12)36)33-5-7-34(8-6-33)23(37)17-10-18(32-38-17)24(27,28)29/h3-4,9-11H,5-8H2,1-2H3
InChIKeyPWQYJRDDMVOZHD-UHFFFAOYSA-N
MW550.90 g/mol
LogP4.14
Rot. Bonds3

About 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one

9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 177152144) has the molecular formula C24H19ClF4N6O3 and a molecular weight of 550.90 g/mol. Its IUPAC name is 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one
PubChem CID177152144
Molecular FormulaC24H19ClF4N6O3
Molecular Weight550.90 g/mol
Exact Mass550.11
IUPAC Name9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(Cl)cc3F)nc(N3CCN(C(=O)c4cc(C(F)(F)F)no4)CC3)cn2c(=O)c1C
InChIInChI=1S/C24H19ClF4N6O3/c1-12-13(2)30-21-20(15-4-3-14(25)9-16(15)26)31-19(11-35(21)22(12)36)33-5-7-34(8-6-33)23(37)17-10-18(32-38-17)24(27,28)29/h3-4,9-11H,5-8H2,1-2H3
InChIKeyPWQYJRDDMVOZHD-UHFFFAOYSA-N
XLogP4.14
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.90
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

9-(4-chloro-2-fluorophenyl)-7-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one
CID 177151915
7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one
CID 176675689
9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one
CID 177152230
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]methanone
CID 42211682
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 143313564
(3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 46960158
2-(4-chloro-2-fluorophenyl)-6-[4-(2-methylpropanoyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one
CID 69461024
[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 71200162
3-chloro-9-(4-chloro-2-fluorophenyl)-2-methylpyrazino[1,2-a]pyrimidin-4-one
CID 176675696
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 17096093
ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 178069931
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 89365600

Frequently Asked Questions

What is the IUPAC name of 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one (CID 177152144) is 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one is Cc1nc2c(-c3ccc(Cl)cc3F)nc(N3CCN(C(=O)c4cc(C(F)(F)F)no4)CC3)cn2c(=O)c1C.
What is the InChIKey of 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is PWQYJRDDMVOZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF4N6O3/c1-12-13(2)30-21-20(15-4-3-14(25)9-16(15)26)31-19(11-35(21)22(12)36)33-5-7-34(8-6-33)23(37)17-10-18(32-38-17)24(27,28)29/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one?
9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 550.90 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[4-[3-(trifluoromethyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 177152144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).