2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C24H27F3N2 — CID 142759557

IUPAC2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1cc(C)c2c3c(n(CCc4ccc(C(F)(F)F)cc4)c2c1)CC(C)N(C)C3
InChIInChI=1S/C24H27F3N2/c1-15-11-16(2)23-20-14-28(4)17(3)13-21(20)29(22(23)12-15)10-9-18-5-7-19(8-6-18)24(25,26)27/h5-8,11-12,17H,9-10,13-14H2,1-4H3
InChIKeyOUPCNMGTOZQHOM-UHFFFAOYSA-N
MW400.49 g/mol
LogP5.90
Rot. Bonds3

About 2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759557) has the molecular formula C24H27F3N2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID142759557
Molecular FormulaC24H27F3N2
Molecular Weight400.49 g/mol
Exact Mass400.21
IUPAC Name2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1cc(C)c2c3c(n(CCc4ccc(C(F)(F)F)cc4)c2c1)CC(C)N(C)C3
InChIInChI=1S/C24H27F3N2/c1-15-11-16(2)23-20-14-28(4)17(3)13-21(20)29(22(23)12-15)10-9-18-5-7-19(8-6-18)24(25,26)27/h5-8,11-12,17H,9-10,13-14H2,1-4H3
InChIKeyOUPCNMGTOZQHOM-UHFFFAOYSA-N
XLogP5.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

ethane;(1R)-5-[2-(4-fluorophenyl)ethyl]-1,2,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;(3R)-5-[2-(4-fluorophenyl)ethyl]-2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 143798800
1,2-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759448
6,8-difluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51029739
6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51029651
2-ethyl-3,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51030754
1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759440
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-3-ol
CID 141242897
6-chloro-5-[2-(3-fluorophenyl)ethyl]-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759282
2-ethyl-3,6-dimethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759480
7-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
CID 45380570
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362

Frequently Asked Questions

What is the IUPAC name of 2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759557) is 2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1cc(C)c2c3c(n(CCc4ccc(C(F)(F)F)cc4)c2c1)CC(C)N(C)C3.
What is the InChIKey of 2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is OUPCNMGTOZQHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2/c1-15-11-16(2)23-20-14-28(4)17(3)13-21(20)29(22(23)12-15)10-9-18-5-7-19(8-6-18)24(25,26)27/h5-8,11-12,17H,9-10,13-14H2,1-4H3.
What are the key properties of 2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 400.49 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,9-tetramethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).