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

C26H21ClF3N7O — CID 143313139

IUPAC[4-[6-(3-chloro-4-pyridinyl)-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCN(c2cnc(-c3ccc(C(F)(F)F)nc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C26H21ClF3N7O/c1-16-3-2-7-32-22(16)25(38)37-11-9-36(10-12-37)21-15-34-23(17-4-5-20(33-13-17)26(28,29)30)24(35-21)18-6-8-31-14-19(18)27/h2-8,13-15H,9-12H2,1H3
InChIKeyREJXQQJENCZWNA-UHFFFAOYSA-N
MW539.95 g/mol
LogP4.94
Rot. Bonds4

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

[4-[6-(3-chloro-4-pyridinyl)-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone (PubChem CID 143313139) has the molecular formula C26H21ClF3N7O and a molecular weight of 539.95 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[6-(3-chloro-4-pyridinyl)-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
PubChem CID143313139
Molecular FormulaC26H21ClF3N7O
Molecular Weight539.95 g/mol
Exact Mass539.14
IUPAC Name[4-[6-(3-chloro-4-pyridinyl)-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCN(c2cnc(-c3ccc(C(F)(F)F)nc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C26H21ClF3N7O/c1-16-3-2-7-32-22(16)25(38)37-11-9-36(10-12-37)21-15-34-23(17-4-5-20(33-13-17)26(28,29)30)24(35-21)18-6-8-31-14-19(18)27/h2-8,13-15H,9-12H2,1H3
InChIKeyREJXQQJENCZWNA-UHFFFAOYSA-N
XLogP4.94
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.95
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-Chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470666
5-Chloro-2-ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470758
4-(2-{5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)pyridine-2-carboxamide
CID 470763
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
1-(6-(2-Chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576686
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)propionamide
CID 44576717
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloropyrazine-2-carboxamide
CID 57390764
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 57394299
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 57396055
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methylpyrazine-2-carboxamide
CID 57399515
N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]butyl]pyridine-2-carboxamide
CID 118204278
[4-[[5-Chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 70793948

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone (CID 143313139) is [4-[6-(3-chloro-4-pyridinyl)-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-[6-(3-chloro-4-pyridinyl)-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone is Cc1cccnc1C(=O)N1CCN(c2cnc(-c3ccc(C(F)(F)F)nc3)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of [4-[6-(3-chloro-4-pyridinyl)-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The InChIKey is REJXQQJENCZWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N7O/c1-16-3-2-7-32-22(16)25(38)37-11-9-36(10-12-37)21-15-34-23(17-4-5-20(33-13-17)26(28,29)30)24(35-21)18-6-8-31-14-19(18)27/h2-8,13-15H,9-12H2,1H3.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
[4-[6-(3-chloro-4-pyridinyl)-5-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone has a molecular weight of 539.95 g/mol, XLogP of 4.94, 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-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 143313139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).