3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole

C73H59F3N12 — CID 167591441

IUPAC3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole
SMILESCc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.Cc1ccc(-c2ccc3c4cnc(C)cc4n(C)c3c2)cn1.Cc1ccc(-c2ccc3c4cnccc4n(C)c3c2)cn1.Cc1ccc(-c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)cn1
InChIInChI=1S/C19H14F3N3.C19H17N3.C18H15N3.C17H13N3/c1-12-2-3-14(9-24-12)13-4-5-15-16-10-23-7-6-17(16)25(18(15)8-13)11-19(20,21)22;1-12-4-5-15(10-20-12)14-6-7-16-17-11-21-13(2)8-18(17)22(3)19(16)9-14;1-12-3-4-14(10-20-12)13-5-6-15-16-11-19-8-7-17(16)21(2)18(15)9-13;1-11-2-3-13(9-19-11)12-4-5-14-15-10-18-7-6-16(15)20-17(14)8-12/h2-10H,11H2,1H3;4-11H,1-3H3;3-11H,1-2H3;2-10,20H,1H3
InChIKeyIMJBCIFGYFYEPR-UHFFFAOYSA-N
MW1161.35 g/mol
LogP17.71
Rot. Bonds5

About 3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole

3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole (PubChem CID 167591441) has the molecular formula C73H59F3N12 and a molecular weight of 1161.35 g/mol. Its IUPAC name is 3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole
PubChem CID167591441
Molecular FormulaC73H59F3N12
Molecular Weight1161.35 g/mol
Exact Mass1160.49
IUPAC Name3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole
SMILESCc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.Cc1ccc(-c2ccc3c4cnc(C)cc4n(C)c3c2)cn1.Cc1ccc(-c2ccc3c4cnccc4n(C)c3c2)cn1.Cc1ccc(-c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)cn1
InChIInChI=1S/C19H14F3N3.C19H17N3.C18H15N3.C17H13N3/c1-12-2-3-14(9-24-12)13-4-5-15-16-10-23-7-6-17(16)25(18(15)8-13)11-19(20,21)22;1-12-4-5-15(10-20-12)14-6-7-16-17-11-21-13(2)8-18(17)22(3)19(16)9-14;1-12-3-4-14(10-20-12)13-5-6-15-16-11-19-8-7-17(16)21(2)18(15)9-13;1-11-2-3-13(9-19-11)12-4-5-14-15-10-18-7-6-16(15)20-17(14)8-12/h2-10H,11H2,1H3;4-11H,1-3H3;3-11H,1-2H3;2-10,20H,1H3
InChIKeyIMJBCIFGYFYEPR-UHFFFAOYSA-N
XLogP17.71
TPSA133.70 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001161.35
LogP ≤ 517.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole with MolForge

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Related Compounds

meso-Tetrakis(2-N-methylpyridyl)porphine
CID 135398505
5,10,15,20-Tetra(4-pyridyl)porphyrin
CID 135411729
5,10,15,20-Tetra(1-methyl-4-pyridyl)-porphyrin
CID 4234
10,20-Bis(1-methylpyridin-1-ium-4-yl)-5,15-diphenyl-21,22-dihydroporphyrin diiodide
CID 136026482
5,10,15,20-Tetrakis(N-methyl-4-pyridyl)-21,23H-porphyrin tetrachloride
CID 135509775
5,10,15,20-Tetrakis(3,5-difluoro-1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin tetratetrafluoroborate
CID 136219397
1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613
3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole
CID 122190650
5,10,15,20-(tetra-N-methyl-4-pyridyl)porphyrin tetraiodide
CID 135537069
5-(1-Hexadecylpyridin-1-ium-4-yl)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin tetraiodide
CID 155526145
5-(1-Dodecylpyridin-1-ium-4-yl)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin tetraiodide
CID 155534134
5,10,15-Tris(1-methylpyridin-1-ium-4-yl)-20-(1-tetradecylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin tetraiodide
CID 155548896

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole?
The IUPAC name of 3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole (CID 167591441) is 3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole.
What is the SMILES notation for 3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole?
The canonical SMILES for 3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole is Cc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.Cc1ccc(-c2ccc3c4cnc(C)cc4n(C)c3c2)cn1.Cc1ccc(-c2ccc3c4cnccc4n(C)c3c2)cn1.Cc1ccc(-c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)cn1.
What is the InChIKey of 3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole?
The InChIKey is IMJBCIFGYFYEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3.C19H17N3.C18H15N3.C17H13N3/c1-12-2-3-14(9-24-12)13-4-5-15-16-10-23-7-6-17(16)25(18(15)8-13)11-19(20,21)22;1-12-4-5-15(10-20-12)14-6-7-16-17-11-21-13(2)8-18(17)22(3)19(16)9-14;1-12-3-4-14(10-20-12)13-5-6-15-16-11-19-8-7-17(16)21(2)18(15)9-13;1-11-2-3-13(9-19-11)12-4-5-14-15-10-18-7-6-16(15)20-17(14)8-12/h2-10H,11H2,1H3;4-11H,1-3H3;3-11H,1-2H3;2-10,20H,1H3.
What are the key properties of 3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole?
3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole has a molecular weight of 1161.35 g/mol, XLogP of 17.71, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole is sourced from PubChem (CID 167591441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).