6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide

C19H23Cl2N5O4S — CID 88569817

IUPAC6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide
SMILESCC1(O)CCC(Nc2nc(Nc3ccc(S(C)(=O)=O)c(Cl)c3)c(C(N)=O)nc2Cl)CC1
InChIInChI=1S/C19H23Cl2N5O4S/c1-19(28)7-5-10(6-8-19)23-18-15(21)25-14(16(22)27)17(26-18)24-11-3-4-13(12(20)9-11)31(2,29)30/h3-4,9-10,28H,5-8H2,1-2H3,(H2,22,27)(H2,23,24,26)
InChIKeySXANRQYPNNDVMS-UHFFFAOYSA-N
MW488.40 g/mol
LogP3.13
Rot. Bonds6

About 6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide

6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide (PubChem CID 88569817) has the molecular formula C19H23Cl2N5O4S and a molecular weight of 488.40 g/mol. Its IUPAC name is 6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide
PubChem CID88569817
Molecular FormulaC19H23Cl2N5O4S
Molecular Weight488.40 g/mol
Exact Mass487.08
IUPAC Name6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide
SMILESCC1(O)CCC(Nc2nc(Nc3ccc(S(C)(=O)=O)c(Cl)c3)c(C(N)=O)nc2Cl)CC1
InChIInChI=1S/C19H23Cl2N5O4S/c1-19(28)7-5-10(6-8-19)23-18-15(21)25-14(16(22)27)17(26-18)24-11-3-4-13(12(20)9-11)31(2,29)30/h3-4,9-10,28H,5-8H2,1-2H3,(H2,22,27)(H2,23,24,26)
InChIKeySXANRQYPNNDVMS-UHFFFAOYSA-N
XLogP3.13
TPSA147.30 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.40
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(4-amino-4-methylcyclohexyl)amino]-3-(3-methylsulfonylanilino)-6-propylpyrazine-2-carboxamide
CID 66642959
6-ethyl-5-[(4-hydroxy-4-methylcyclohexyl)amino]-3-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 66643155
6-chloro-5-[(4-hydroxycyclohexyl)amino]-3-[3-methoxy-4-(4-oxopiperidin-1-yl)anilino]pyrazine-2-carboxamide
CID 88572066
5-[(4-hydroxycyclohexyl)amino]-3-(3-methylsulfonylanilino)pyrazine-2-carboxamide
CID 66643257
6-ethyl-3-[3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-[(1-methylpiperidin-4-yl)amino]pyrazine-2-carboxamide
CID 66643654
2-[4-(4-acetylpiperazin-1-yl)-3-chloroanilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 44594939
2-[3-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
CID 68665616
5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide
CID 88569686
3-(3,4-dichloroanilino)pyrazine-2-carboxamide
CID 122372729
5-chloro-6-ethyl-3-(4-ethyl-3-methylanilino)pyrazine-2-carboxamide
CID 158947283
3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide
CID 167487007
3-[4-(4-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-ethyl-5-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide
CID 91801274

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide (CID 88569817) is 6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide is CC1(O)CCC(Nc2nc(Nc3ccc(S(C)(=O)=O)c(Cl)c3)c(C(N)=O)nc2Cl)CC1.
What is the InChIKey of 6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide?
The InChIKey is SXANRQYPNNDVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N5O4S/c1-19(28)7-5-10(6-8-19)23-18-15(21)25-14(16(22)27)17(26-18)24-11-3-4-13(12(20)9-11)31(2,29)30/h3-4,9-10,28H,5-8H2,1-2H3,(H2,22,27)(H2,23,24,26).
What are the key properties of 6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide?
6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide has a molecular weight of 488.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-chloro-4-methylsulfonylanilino)-5-[(4-hydroxy-4-methylcyclohexyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 88569817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).