5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid

C78H87F3N10O13S4 — CID 160797846

IUPAC5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid
SMILESCCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)O)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)c(C)c3[nH]c4ncc(C)cc4c23)c1.CN1CCC(N)CC1.O=S(=O)(O)O
InChIInChI=1S/C28H32N4O3S.C22H19F3N2O2S.C22H20N2O4S.C6H14N2.H2O4S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26;1-4-30(28,29)15-7-5-6-14(9-15)16-10-18(22(23,24)25)13(3)20-19(16)17-8-12(2)11-26-21(17)27-20;1-4-29(27,28)15-7-5-6-14(9-15)17-10-16(22(25)26)13(3)20-19(17)18-8-12(2)11-23-21(18)24-20;1-8-4-2-6(7)3-5-8;1-5(2,3)4/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33);5-11H,4H2,1-3H3,(H,26,27);5-11H,4H2,1-3H3,(H,23,24)(H,25,26);6H,2-5,7H2,1H3;(H2,1,2,3,4)
InChIKeySFLDTKSNDWJUDF-UHFFFAOYSA-N
MW1557.87 g/mol
LogP14.31
Rot. Bonds12

About 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid

5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid (PubChem CID 160797846) has the molecular formula C78H87F3N10O13S4 and a molecular weight of 1557.87 g/mol. Its IUPAC name is 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid.

Molecular Properties

Compound Name5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid
PubChem CID160797846
Molecular FormulaC78H87F3N10O13S4
Molecular Weight1557.87 g/mol
Exact Mass1556.53
IUPAC Name5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid
SMILESCCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)O)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)c(C)c3[nH]c4ncc(C)cc4c23)c1.CN1CCC(N)CC1.O=S(=O)(O)O
InChIInChI=1S/C28H32N4O3S.C22H19F3N2O2S.C22H20N2O4S.C6H14N2.H2O4S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26;1-4-30(28,29)15-7-5-6-14(9-15)16-10-18(22(23,24)25)13(3)20-19(16)17-8-12(2)11-26-21(17)27-20;1-4-29(27,28)15-7-5-6-14(9-15)17-10-16(22(25)26)13(3)20-19(17)18-8-12(2)11-23-21(18)24-20;1-8-4-2-6(7)3-5-8;1-5(2,3)4/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33);5-11H,4H2,1-3H3,(H,26,27);5-11H,4H2,1-3H3,(H,23,24)(H,25,26);6H,2-5,7H2,1H3;(H2,1,2,3,4)
InChIKeySFLDTKSNDWJUDF-UHFFFAOYSA-N
XLogP14.31
TPSA361.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001557.87
LogP ≤ 514.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid with MolForge

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Related Compounds

5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 87338768
5-chloro-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-chloro-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-chloro-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid
CID 158234623
5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide succinate
CID 67284065
5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide benzoate
CID 67284377
5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide fumarate
CID 67284444
but-2-enedioic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide
CID 67284447
5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide hemifumarate
CID 131739290
5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;1-methylpiperidin-4-amine
CID 159676878
3-chloro-5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-cyclopropylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-8-methyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide
CID 160054889
tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid
CID 161307733
2-[ethyl-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl]amino]ethyl dihydrogen phosphate;N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide;2-[3-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]propyl-methylamino]ethyl dihydrogen phosphate;5-(3-ethylsulfonylphenyl)-N-[3-[2-hydroxyethyl(methyl)amino]propyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide
CID 161328530
N-[2-(dimethylamino)ethyl]-5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide;N',N'-dimethylethane-1,2-diamine;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid
CID 161651789

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid?
The IUPAC name of 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid (CID 160797846) is 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid.
What is the SMILES notation for 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid?
The canonical SMILES for 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid is CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)O)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)c(C)c3[nH]c4ncc(C)cc4c23)c1.CN1CCC(N)CC1.O=S(=O)(O)O.
What is the InChIKey of 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid?
The InChIKey is SFLDTKSNDWJUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3S.C22H19F3N2O2S.C22H20N2O4S.C6H14N2.H2O4S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26;1-4-30(28,29)15-7-5-6-14(9-15)16-10-18(22(23,24)25)13(3)20-19(16)17-8-12(2)11-26-21(17)27-20;1-4-29(27,28)15-7-5-6-14(9-15)17-10-16(22(25)26)13(3)20-19(17)18-8-12(2)11-23-21(18)24-20;1-8-4-2-6(7)3-5-8;1-5(2,3)4/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33);5-11H,4H2,1-3H3,(H,26,27);5-11H,4H2,1-3H3,(H,23,24)(H,25,26);6H,2-5,7H2,1H3;(H2,1,2,3,4).
What are the key properties of 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid?
5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid has a molecular weight of 1557.87 g/mol, XLogP of 14.31, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole;1-methylpiperidin-4-amine;sulfuric acid is sourced from PubChem (CID 160797846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).