[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone

C103H86F8N8O8 — CID 165019113

IUPAC[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C)cc2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C(F)(F)F)c2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C26H21F3N2O2.2C26H24N2O2.C25H17F5N2O2/c1-33-19-11-9-16(10-12-19)24-23-21(20-7-2-3-8-22(20)30-23)13-14-31(24)25(32)17-5-4-6-18(15-17)26(27,28)29;1-17-6-5-7-19(16-17)26(29)28-15-14-22-21-8-3-4-9-23(21)27-24(22)25(28)18-10-12-20(30-2)13-11-18;1-17-7-9-19(10-8-17)26(29)28-16-15-22-21-5-3-4-6-23(21)27-24(22)25(28)18-11-13-20(30-2)14-12-18;1-34-13-8-6-12(7-9-13)24-23-15(14-4-2-3-5-16(14)31-23)10-11-32(24)25(33)17-18(26)20(28)22(30)21(29)19(17)27/h2-12,15,24,30H,13-14H2,1H3;3-13,16,25,27H,14-15H2,1-2H3;3-14,25,27H,15-16H2,1-2H3;2-9,24,31H,10-11H2,1H3
InChIKeyKWTDABKTWORNME-UHFFFAOYSA-N
MW1715.85 g/mol
LogP22.19
Rot. Bonds12

About [1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone

[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 165019113) has the molecular formula C103H86F8N8O8 and a molecular weight of 1715.85 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID165019113
Molecular FormulaC103H86F8N8O8
Molecular Weight1715.85 g/mol
Exact Mass1714.64
IUPAC Name[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C)cc2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C(F)(F)F)c2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C26H21F3N2O2.2C26H24N2O2.C25H17F5N2O2/c1-33-19-11-9-16(10-12-19)24-23-21(20-7-2-3-8-22(20)30-23)13-14-31(24)25(32)17-5-4-6-18(15-17)26(27,28)29;1-17-6-5-7-19(16-17)26(29)28-15-14-22-21-8-3-4-9-23(21)27-24(22)25(28)18-10-12-20(30-2)13-11-18;1-17-7-9-19(10-8-17)26(29)28-16-15-22-21-5-3-4-6-23(21)27-24(22)25(28)18-11-13-20(30-2)14-12-18;1-34-13-8-6-12(7-9-13)24-23-15(14-4-2-3-5-16(14)31-23)10-11-32(24)25(33)17-18(26)20(28)22(30)21(29)19(17)27/h2-12,15,24,30H,13-14H2,1H3;3-13,16,25,27H,14-15H2,1-2H3;3-14,25,27H,15-16H2,1-2H3;2-9,24,31H,10-11H2,1H3
InChIKeyKWTDABKTWORNME-UHFFFAOYSA-N
XLogP22.19
TPSA181.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001715.85
LogP ≤ 522.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze [1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

4-(3-(4-(6-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenoxy)hexanoyl)piperazine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one
CID 169552184
(4-Methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 155549450
(4-fluorophenyl)[1-(4-methoxyphenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]methanone
CID 3503397
[1-(4-Methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone
CID 57614283
2,4-Difluorophenyl 1-(4-methoxyphenyl)(1,2,3,4-tetrahydrobeta-carbolin-2-yl) k etone
CID 4570631
3,4-Difluorophenyl 1-(4-methoxyphenyl)(1,2,3,4-tetrahydrobeta-carbolin-2-yl) k etone
CID 4685476
[1-(4-Methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 57614259
[1-(4-Methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 57614264
[1-(4-Methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 57614282
3-(3-fluoro-4-methoxyphenyl)-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-9H-carbazole-1-carboxamide
CID 66599528
7-fluoro-N-[(2S)-1-[(1S,4S)-5-(6-methoxy-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 67072617
(E,4E)-4-benzylidene-1,5-bis(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-[4-(trifluoromethyl)phenyl]pent-2-ene-1,5-dione;2-[(E)-3-(4-methoxyphenyl)prop-1-enyl]-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;(E)-3-(4-nitrophenyl)-1-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)prop-2-en-1-one
CID 88149368

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 165019113) is [1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone is COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C)cc2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C(F)(F)F)c2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C)c2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is KWTDABKTWORNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2.2C26H24N2O2.C25H17F5N2O2/c1-33-19-11-9-16(10-12-19)24-23-21(20-7-2-3-8-22(20)30-23)13-14-31(24)25(32)17-5-4-6-18(15-17)26(27,28)29;1-17-6-5-7-19(16-17)26(29)28-15-14-22-21-8-3-4-9-23(21)27-24(22)25(28)18-10-12-20(30-2)13-11-18;1-17-7-9-19(10-8-17)26(29)28-16-15-22-21-5-3-4-6-23(21)27-24(22)25(28)18-11-13-20(30-2)14-12-18;1-34-13-8-6-12(7-9-13)24-23-15(14-4-2-3-5-16(14)31-23)10-11-32(24)25(33)17-18(26)20(28)22(30)21(29)19(17)27/h2-12,15,24,30H,13-14H2,1H3;3-13,16,25,27H,14-15H2,1-2H3;3-14,25,27H,15-16H2,1-2H3;2-9,24,31H,10-11H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 1715.85 g/mol, XLogP of 22.19, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 165019113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).