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

C26H21ClF2N6O — CID 143313416

IUPAC(4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone
SMILESCc1cnccc1-c1nc(N2CCN(C(=O)c3cc(Cl)ccn3)CC2)cnc1-c1ccc(F)cc1F
InChIInChI=1S/C26H21ClF2N6O/c1-16-14-30-6-5-19(16)25-24(20-3-2-18(28)13-21(20)29)32-15-23(33-25)34-8-10-35(11-9-34)26(36)22-12-17(27)4-7-31-22/h2-7,12-15H,8-11H2,1H3
InChIKeyADKNCJAVSHLFJL-UHFFFAOYSA-N
MW506.94 g/mol
LogP4.80
Rot. Bonds4

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

(4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone (PubChem CID 143313416) has the molecular formula C26H21ClF2N6O and a molecular weight of 506.94 g/mol. Its IUPAC name is (4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone
PubChem CID143313416
Molecular FormulaC26H21ClF2N6O
Molecular Weight506.94 g/mol
Exact Mass506.14
IUPAC Name(4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone
SMILESCc1cnccc1-c1nc(N2CCN(C(=O)c3cc(Cl)ccn3)CC2)cnc1-c1ccc(F)cc1F
InChIInChI=1S/C26H21ClF2N6O/c1-16-14-30-6-5-19(16)25-24(20-3-2-18(28)13-21(20)29)32-15-23(33-25)34-8-10-35(11-9-34)26(36)22-12-17(27)4-7-31-22/h2-7,12-15H,8-11H2,1H3
InChIKeyADKNCJAVSHLFJL-UHFFFAOYSA-N
XLogP4.80
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.94
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[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
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(4-fluoro-3-pyridinyl)methanone
CID 71200150
1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]propan-1-one
CID 71200253
[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 71200162
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 89365600
3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-methylsulfonylpiperidin-1-yl)pyrazine
CID 71200314
[4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 143313240
2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine
CID 71199738
[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 71200135
2-chloropropan-2-yl 4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazine-1-carboxylate
CID 143313654
(4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone
CID 146321445
(4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 55164875

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone (CID 143313416) is (4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone is Cc1cnccc1-c1nc(N2CCN(C(=O)c3cc(Cl)ccn3)CC2)cnc1-c1ccc(F)cc1F.
What is the InChIKey of (4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone?
The InChIKey is ADKNCJAVSHLFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF2N6O/c1-16-14-30-6-5-19(16)25-24(20-3-2-18(28)13-21(20)29)32-15-23(33-25)34-8-10-35(11-9-34)26(36)22-12-17(27)4-7-31-22/h2-7,12-15H,8-11H2,1H3.
What are the key properties of (4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone?
(4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone has a molecular weight of 506.94 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridinyl)-[4-[5-(2,4-difluorophenyl)-6-(3-methyl-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 143313416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).