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

C54H60Cl3F3N10O7S — CID 158234623

IUPAC5-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
SMILESCN1CCC(N)CC1.Cc1cnc2[nH]c3c(C)c(C(=O)NC4CCN(C)CC4)cc(Cl)c3c2c1.Cc1cnc2[nH]c3c(C)c(C(=O)O)cc(Cl)c3c2c1.Cc1cnc2[nH]c3c(C)c(C(F)(F)F)cc(Cl)c3c2c1.O=S(=O)(O)O
InChIInChI=1S/C20H23ClN4O.C14H10ClF3N2.C14H11ClN2O2.C6H14N2.H2O4S/c1-11-8-15-17-16(21)9-14(12(2)18(17)24-19(15)22-10-11)20(26)23-13-4-6-25(3)7-5-13;1-6-3-8-11-10(15)4-9(14(16,17)18)7(2)12(11)20-13(8)19-5-6;1-6-3-9-11-10(15)4-8(14(18)19)7(2)12(11)17-13(9)16-5-6;1-8-4-2-6(7)3-5-8;1-5(2,3)4/h8-10,13H,4-7H2,1-3H3,(H,22,24)(H,23,26);3-5H,1-2H3,(H,19,20);3-5H,1-2H3,(H,16,17)(H,18,19);6H,2-5,7H2,1H3;(H2,1,2,3,4)
InChIKeyWOXRVWNSHFMVDX-UHFFFAOYSA-N
MW1156.56 g/mol
LogP11.89
Rot. Bonds3

About 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

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 (PubChem CID 158234623) has the molecular formula C54H60Cl3F3N10O7S and a molecular weight of 1156.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158234623
Molecular FormulaC54H60Cl3F3N10O7S
Molecular Weight1156.56 g/mol
Exact Mass1154.34
IUPAC Name5-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
SMILESCN1CCC(N)CC1.Cc1cnc2[nH]c3c(C)c(C(=O)NC4CCN(C)CC4)cc(Cl)c3c2c1.Cc1cnc2[nH]c3c(C)c(C(=O)O)cc(Cl)c3c2c1.Cc1cnc2[nH]c3c(C)c(C(F)(F)F)cc(Cl)c3c2c1.O=S(=O)(O)O
InChIInChI=1S/C20H23ClN4O.C14H10ClF3N2.C14H11ClN2O2.C6H14N2.H2O4S/c1-11-8-15-17-16(21)9-14(12(2)18(17)24-19(15)22-10-11)20(26)23-13-4-6-25(3)7-5-13;1-6-3-8-11-10(15)4-9(14(16,17)18)7(2)12(11)20-13(8)19-5-6;1-6-3-9-11-10(15)4-8(14(18)19)7(2)12(11)17-13(9)16-5-6;1-8-4-2-6(7)3-5-8;1-5(2,3)4/h8-10,13H,4-7H2,1-3H3,(H,22,24)(H,23,26);3-5H,1-2H3,(H,19,20);3-5H,1-2H3,(H,16,17)(H,18,19);6H,2-5,7H2,1H3;(H2,1,2,3,4)
InChIKeyWOXRVWNSHFMVDX-UHFFFAOYSA-N
XLogP11.89
TPSA259.54 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001156.56
LogP ≤ 511.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

acetic acid;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;3-chloro-2-(2-fluoro-5-methyl-3-pyridinyl)-6-methyl-5-(trifluoromethyl)aniline;3-[6-chloro-3-methyl-2-nitro-4-(trifluoromethyl)phenyl]-2-fluoro-5-methylpyridine;methane;1-methylpiperidin-4-amine;sulfuric acid
CID 157923348
acetic acid;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;3-chloro-2-(2-fluoro-5-methyl-3-pyridinyl)-6-methyl-5-(trifluoromethyl)aniline;3-[6-chloro-3-methyl-2-nitro-4-(trifluoromethyl)phenyl]-2-fluoro-5-methylpyridine;methane;1-methylpiperidin-4-amine;sulfuric acid
CID 158105696
acetic acid;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;3-chloro-2-(2-fluoro-5-methyl-3-pyridinyl)-6-methyl-5-(trifluoromethyl)aniline;3-[6-chloro-3-methyl-2-nitro-4-(trifluoromethyl)phenyl]-2-fluoro-5-methylpyridine;1-methylpiperidin-4-amine;sulfuric acid
CID 158562633
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
(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanamine;bis(N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyridine-4-carboxamide);2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyridine-4-carboxylic acid
CID 157786704
(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanamine;bis(N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 159143825
(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanamine;bis(N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
CID 159479249
(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanamine;bis(N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyridine-4-carboxamide);2-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyridine-4-carboxylic acid;methane
CID 160053586
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(6-fluoro-3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(3-chloro-6-methyl-1H-indol-5-yl)methanamine
CID 160586157

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC(N)CC1.Cc1cnc2[nH]c3c(C)c(C(=O)NC4CCN(C)CC4)cc(Cl)c3c2c1.Cc1cnc2[nH]c3c(C)c(C(=O)O)cc(Cl)c3c2c1.Cc1cnc2[nH]c3c(C)c(C(F)(F)F)cc(Cl)c3c2c1.O=S(=O)(O)O.
What is the InChIKey of 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?
The InChIKey is WOXRVWNSHFMVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O.C14H10ClF3N2.C14H11ClN2O2.C6H14N2.H2O4S/c1-11-8-15-17-16(21)9-14(12(2)18(17)24-19(15)22-10-11)20(26)23-13-4-6-25(3)7-5-13;1-6-3-8-11-10(15)4-9(14(16,17)18)7(2)12(11)20-13(8)19-5-6;1-6-3-9-11-10(15)4-8(14(18)19)7(2)12(11)17-13(9)16-5-6;1-8-4-2-6(7)3-5-8;1-5(2,3)4/h8-10,13H,4-7H2,1-3H3,(H,22,24)(H,23,26);3-5H,1-2H3,(H,19,20);3-5H,1-2H3,(H,16,17)(H,18,19);6H,2-5,7H2,1H3;(H2,1,2,3,4).
What are the key properties of 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?
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 has a molecular weight of 1156.56 g/mol, XLogP of 11.89, 3 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158234623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).