5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide

C19H22ClF3N6O — CID 88571970

IUPAC5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2ccc(C(F)(F)F)c(N3CCN(C)CC3)c2)nc1Cl
InChIInChI=1S/C19H22ClF3N6O/c1-3-13-16(20)27-18(15(26-13)17(24)30)25-11-4-5-12(19(21,22)23)14(10-11)29-8-6-28(2)7-9-29/h4-5,10H,3,6-9H2,1-2H3,(H2,24,30)(H,25,27)
InChIKeyVIUCULYPZYADML-UHFFFAOYSA-N
MW442.87 g/mol
LogP3.31
Rot. Bonds5

About 5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide

5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide (PubChem CID 88571970) has the molecular formula C19H22ClF3N6O and a molecular weight of 442.87 g/mol. Its IUPAC name is 5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
PubChem CID88571970
Molecular FormulaC19H22ClF3N6O
Molecular Weight442.87 g/mol
Exact Mass442.15
IUPAC Name5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
SMILESCCc1nc(C(N)=O)c(Nc2ccc(C(F)(F)F)c(N3CCN(C)CC3)c2)nc1Cl
InChIInChI=1S/C19H22ClF3N6O/c1-3-13-16(20)27-18(15(26-13)17(24)30)25-11-4-5-12(19(21,22)23)14(10-11)29-8-6-28(2)7-9-29/h4-5,10H,3,6-9H2,1-2H3,(H2,24,30)(H,25,27)
InChIKeyVIUCULYPZYADML-UHFFFAOYSA-N
XLogP3.31
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.87
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-6-ethyl-3-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 87092141
5-chloro-6-ethyl-3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 88572016
5-chloro-6-ethyl-3-[3-fluoro-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]anilino]pyrazine-2-carboxamide
CID 88569779
5-chloro-3-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-6-(2-hydroxypropan-2-yl)pyrazine-2-carboxamide
CID 88569782
5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide
CID 158947283
tert-butyl 4-[4-[(3-carbamoyl-6-chloro-5-ethylpyrazin-2-yl)amino]phenyl]piperazine-1-carboxylate
CID 88569552
3-anilino-5-chloro-6-ethylpyrazine-2-carboxamide
CID 155756328
3-[4-(4-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-ethyl-5-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide
CID 91801274
5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide
CID 88569768
5-chloro-6-ethyl-3-(3-methyl-4-spiro[indene-1,4'-piperidine]-1'-ylanilino)pyrazine-2-carboxamide
CID 88569575
6-ethyl-5-[(4-hydroxy-4-methylcyclohexyl)amino]-3-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 66643155
6-ethyl-5-[(4-hydroxycyclohexyl)amino]-3-[3-isocyano-4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 88569857

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide (CID 88571970) is 5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide is CCc1nc(C(N)=O)c(Nc2ccc(C(F)(F)F)c(N3CCN(C)CC3)c2)nc1Cl.
What is the InChIKey of 5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The InChIKey is VIUCULYPZYADML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N6O/c1-3-13-16(20)27-18(15(26-13)17(24)30)25-11-4-5-12(19(21,22)23)14(10-11)29-8-6-28(2)7-9-29/h4-5,10H,3,6-9H2,1-2H3,(H2,24,30)(H,25,27).
What are the key properties of 5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide has a molecular weight of 442.87 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 88571970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).