[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

C26H24ClFN6O2 — CID 71200117

IUPAC[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1cc(F)ccc1-c1ncc(N2CCN(C(=O)c3c(C)noc3C)CC2)nc1-c1ccncc1Cl
InChIInChI=1S/C26H24ClFN6O2/c1-15-12-18(28)4-5-19(15)24-25(20-6-7-29-13-21(20)27)31-22(14-30-24)33-8-10-34(11-9-33)26(35)23-16(2)32-36-17(23)3/h4-7,12-14H,8-11H2,1-3H3
InChIKeyWRQASNXUGAWAJZ-UHFFFAOYSA-N
MW506.97 g/mol
LogP4.87
Rot. Bonds4

About [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 71200117) has the molecular formula C26H24ClFN6O2 and a molecular weight of 506.97 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID71200117
Molecular FormulaC26H24ClFN6O2
Molecular Weight506.97 g/mol
Exact Mass506.16
IUPAC Name[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1cc(F)ccc1-c1ncc(N2CCN(C(=O)c3c(C)noc3C)CC2)nc1-c1ccncc1Cl
InChIInChI=1S/C26H24ClFN6O2/c1-15-12-18(28)4-5-19(15)24-25(20-6-7-29-13-21(20)27)31-22(14-30-24)33-8-10-34(11-9-33)26(35)23-16(2)32-36-17(23)3/h4-7,12-14H,8-11H2,1-3H3
InChIKeyWRQASNXUGAWAJZ-UHFFFAOYSA-N
XLogP4.87
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.97
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone with MolForge

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Related Compounds

(5-Methyl-3-phenylisoxazol-4-yl){4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}methanone
CID 2741611
(3,5-Dimethyl-1,2-oxazol-4-yl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3233137
(5-Methyl-3-phenyl-4-isoxazolyl)[4-(2-pyridinyl)piperazino]methanone
CID 2813463
(2S)-N-[6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]propanamide
CID 139269413
[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1094868
2-{4-[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl}pyrimidine
CID 1094869
(2S)-N-[6-(5-chloro-6-methyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]propanamide
CID 139269428
[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 2741425
[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 2815606
3,5-dimethyl-N-[6-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]-1,2-oxazole-4-carboxamide
CID 172438011
3-(2-chlorophenyl)-N-((1-(3-cyanopyrazin-2-yl)piperidin-4-yl)methyl)-5-methylisoxazole-4-carboxamide
CID 76145932
[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl][4-(pyridin-2-yl)piperazin-1-yl]methanone
CID 1203224

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 71200117) is [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1cc(F)ccc1-c1ncc(N2CCN(C(=O)c3c(C)noc3C)CC2)nc1-c1ccncc1Cl.
What is the InChIKey of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is WRQASNXUGAWAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN6O2/c1-15-12-18(28)4-5-19(15)24-25(20-6-7-29-13-21(20)27)31-22(14-30-24)33-8-10-34(11-9-33)26(35)23-16(2)32-36-17(23)3/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 506.97 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 71200117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).