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

C24H19ClF2N6O2 — CID 143313564

IUPAC[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3cnc(-c4ccc(F)cc4F)c(-c4ccncc4Cl)n3)CC2)no1
InChIInChI=1S/C24H19ClF2N6O2/c1-14-10-20(31-35-14)24(34)33-8-6-32(7-9-33)21-13-29-22(17-3-2-15(26)11-19(17)27)23(30-21)16-4-5-28-12-18(16)25/h2-5,10-13H,6-9H2,1H3
InChIKeyJUZQIDHYTVWJBI-UHFFFAOYSA-N
MW496.91 g/mol
LogP4.40
Rot. Bonds4

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

[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 143313564) has the molecular formula C24H19ClF2N6O2 and a molecular weight of 496.91 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID143313564
Molecular FormulaC24H19ClF2N6O2
Molecular Weight496.91 g/mol
Exact Mass496.12
IUPAC Name[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3cnc(-c4ccc(F)cc4F)c(-c4ccncc4Cl)n3)CC2)no1
InChIInChI=1S/C24H19ClF2N6O2/c1-14-10-20(31-35-14)24(34)33-8-6-32(7-9-33)21-13-29-22(17-3-2-15(26)11-19(17)27)23(30-21)16-4-5-28-12-18(16)25/h2-5,10-13H,6-9H2,1H3
InChIKeyJUZQIDHYTVWJBI-UHFFFAOYSA-N
XLogP4.40
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.91
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-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

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [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) is [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(c3cnc(-c4ccc(F)cc4F)c(-c4ccncc4Cl)n3)CC2)no1.
What is the InChIKey of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is JUZQIDHYTVWJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N6O2/c1-14-10-20(31-35-14)24(34)33-8-6-32(7-9-33)21-13-29-22(17-3-2-15(26)11-19(17)27)23(30-21)16-4-5-28-12-18(16)25/h2-5,10-13H,6-9H2,1H3.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 496.91 g/mol, XLogP of 4.40, 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-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 143313564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).