[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

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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).