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

C24H20ClFN6OS — CID 143313791

IUPAC[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3cnc(-c4ccc(F)cc4)c(-c4ccncc4Cl)n3)CC2)cs1
InChIInChI=1S/C24H20ClFN6OS/c1-15-29-20(14-34-15)24(33)32-10-8-31(9-11-32)21-13-28-22(16-2-4-17(26)5-3-16)23(30-21)18-6-7-27-12-19(18)25/h2-7,12-14H,8-11H2,1H3
InChIKeyDZMWBUJITSSGFE-UHFFFAOYSA-N
MW494.98 g/mol
LogP4.73
Rot. Bonds4

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

[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 143313791) has the molecular formula C24H20ClFN6OS and a molecular weight of 494.98 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID143313791
Molecular FormulaC24H20ClFN6OS
Molecular Weight494.98 g/mol
Exact Mass494.11
IUPAC Name[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3cnc(-c4ccc(F)cc4)c(-c4ccncc4Cl)n3)CC2)cs1
InChIInChI=1S/C24H20ClFN6OS/c1-15-29-20(14-34-15)24(33)32-10-8-31(9-11-32)21-13-28-22(16-2-4-17(26)5-3-16)23(30-21)18-6-7-27-12-19(18)25/h2-7,12-14H,8-11H2,1H3
InChIKeyDZMWBUJITSSGFE-UHFFFAOYSA-N
XLogP4.73
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.98
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

N-alkylamide derivative 1
CID 118204326
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-4-carboxamide
CID 118204277
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 118204279
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
CID 118204291
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]propyl]-1,3-thiazole-2-carboxamide
CID 118204292
N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide
CID 118204293
[2-[5-Chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 118204300
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2,2-dimethylpropyl]-1,3-thiazole-2-carboxamide
CID 118204306
N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclopentylmethyl]-1,3-thiazole-2-carboxamide
CID 118204307
N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide
CID 118204308
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]but-3-enyl]-1,3-thiazole-2-carboxamide
CID 118204339
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide
CID 118204347

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 143313791) is [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCN(c3cnc(-c4ccc(F)cc4)c(-c4ccncc4Cl)n3)CC2)cs1.
What is the InChIKey of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is DZMWBUJITSSGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6OS/c1-15-29-20(14-34-15)24(33)32-10-8-31(9-11-32)21-13-28-22(16-2-4-17(26)5-3-16)23(30-21)18-6-7-27-12-19(18)25/h2-7,12-14H,8-11H2,1H3.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 494.98 g/mol, XLogP of 4.73, 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-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 143313791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).