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

C24H20ClFN6O2 — CID 71200119

IUPAC[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1cc(F)ccc1-c1ncc(N2CCN(C(=O)c3ccno3)CC2)nc1-c1ccncc1Cl
InChIInChI=1S/C24H20ClFN6O2/c1-15-12-16(26)2-3-17(15)22-23(18-4-6-27-13-19(18)25)30-21(14-28-22)31-8-10-32(11-9-31)24(33)20-5-7-29-34-20/h2-7,12-14H,8-11H2,1H3
InChIKeyWRIXAPKJZWGBBK-UHFFFAOYSA-N
MW478.92 g/mol
LogP4.26
Rot. Bonds4

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

[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 71200119) has the molecular formula C24H20ClFN6O2 and a molecular weight of 478.92 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID71200119
Molecular FormulaC24H20ClFN6O2
Molecular Weight478.92 g/mol
Exact Mass478.13
IUPAC Name[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1cc(F)ccc1-c1ncc(N2CCN(C(=O)c3ccno3)CC2)nc1-c1ccncc1Cl
InChIInChI=1S/C24H20ClFN6O2/c1-15-12-16(26)2-3-17(15)22-23(18-4-6-27-13-19(18)25)30-21(14-28-22)31-8-10-32(11-9-31)24(33)20-5-7-29-34-20/h2-7,12-14H,8-11H2,1H3
InChIKeyWRIXAPKJZWGBBK-UHFFFAOYSA-N
XLogP4.26
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.92
LogP ≤ 54.26
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]-(1,2-oxazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-Methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 16669776
[4-(2-Methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 92412587
[4-[8-(2-Fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 24733625
[4-[5-(6-Amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chloro-6-fluorophenyl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 68049484
N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 71199858
[4-[6-(3-Chloropyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 71199927
[4-[6-(3-Chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 71199942
[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
N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 71200168
N-[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 71200169
N-[(6-chloro-2,4,8,18,22-pentazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)methyl]-N-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 87196169
1,2-Oxazol-5-yl-[4-[17-(trifluoromethyl)-3,6,11-triazatetracyclo[13.4.1.02,7.08,13]icosa-1(19),2,4,6,8(13),9,11,15,17-nonaen-5-yl]piperazin-1-yl]methanone
CID 143313024

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]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 71200119) is [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-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]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is Cc1cc(F)ccc1-c1ncc(N2CCN(C(=O)c3ccno3)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]-(1,2-oxazol-5-yl)methanone?
The InChIKey is WRIXAPKJZWGBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O2/c1-15-12-16(26)2-3-17(15)22-23(18-4-6-27-13-19(18)25)30-21(14-28-22)31-8-10-32(11-9-31)24(33)20-5-7-29-34-20/h2-7,12-14H,8-11H2,1H3.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluoro-2-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 478.92 g/mol, XLogP of 4.26, 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]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 71200119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).