1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone

C34H35F3N4O2 — CID 58456814

IUPAC1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone
SMILESCC(=O)n1c2c(c3cc(C(=O)CC4CCN(Cc5cccnc5)CC4)ccc31)CN(Cc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C34H35F3N4O2/c1-23(42)41-31-9-6-27(33(43)17-24-10-14-39(15-11-24)21-26-3-2-13-38-19-26)18-29(31)30-22-40(16-12-32(30)41)20-25-4-7-28(8-5-25)34(35,36)37/h2-9,13,18-19,24H,10-12,14-17,20-22H2,1H3
InChIKeyWSRFVSKWDIVIOJ-UHFFFAOYSA-N
MW588.67 g/mol
LogP6.76
Rot. Bonds7

About 1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone

1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone (PubChem CID 58456814) has the molecular formula C34H35F3N4O2 and a molecular weight of 588.67 g/mol. Its IUPAC name is 1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone
PubChem CID58456814
Molecular FormulaC34H35F3N4O2
Molecular Weight588.67 g/mol
Exact Mass588.27
IUPAC Name1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone
SMILESCC(=O)n1c2c(c3cc(C(=O)CC4CCN(Cc5cccnc5)CC4)ccc31)CN(Cc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C34H35F3N4O2/c1-23(42)41-31-9-6-27(33(43)17-24-10-14-39(15-11-24)21-26-3-2-13-38-19-26)18-29(31)30-22-40(16-12-32(30)41)20-25-4-7-28(8-5-25)34(35,36)37/h2-9,13,18-19,24H,10-12,14-17,20-22H2,1H3
InChIKeyWSRFVSKWDIVIOJ-UHFFFAOYSA-N
XLogP6.76
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethylphenyl)-N,N-di(propan-2-yl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indole-5-carboxamide
CID 44293148
2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indole-5-carboxylic acid diethylamide
CID 44293591
N-hydroxy-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide
CID 50898755
2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indole-5-carboxamide
CID 44292918
2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(4-pyridin-3-ylbutylamino)ethyl]-1H-indole-5-carboxamide
CID 44292919
N,N-dibutyl-2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indole-5-carboxamide
CID 44292940
2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-N,N-bis(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide
CID 44293134
N-cyclohexyl-2-(3,5-dimethylphenyl)-N-ethyl-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indole-5-carboxamide
CID 44293335
N-cyclohexyl-2-(3,5-dimethylphenyl)-N-ethyl-3-[2-(4-pyridin-3-ylbutylamino)ethyl]-1H-indole-5-carboxamide
CID 44293348
N,N-dibutyl-2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-3-ylbutylamino)ethyl]-1H-indole-5-carboxamide
CID 44293349
2-(3,5-dimethylphenyl)-N,N-diethyl-3-[2-(4-pyridin-3-ylbutylamino)ethyl]-1H-indole-5-carboxamide
CID 44293592
2-[3-{(S)-2-[2-(2-Acetyl-pyridin-4-yl)-ethylamino]-1-methyl-ethyl}-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-1-(2-aza-bicyclo[2.2.2]oct-2-yl)-2-methyl-propan-1-one
CID 44340929

Frequently Asked Questions

What is the IUPAC name of 1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone (CID 58456814) is 1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone is CC(=O)n1c2c(c3cc(C(=O)CC4CCN(Cc5cccnc5)CC4)ccc31)CN(Cc1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of 1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone?
The InChIKey is WSRFVSKWDIVIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F3N4O2/c1-23(42)41-31-9-6-27(33(43)17-24-10-14-39(15-11-24)21-26-3-2-13-38-19-26)18-29(31)30-22-40(16-12-32(30)41)20-25-4-7-28(8-5-25)34(35,36)37/h2-9,13,18-19,24H,10-12,14-17,20-22H2,1H3.
What are the key properties of 1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone?
1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone has a molecular weight of 588.67 g/mol, XLogP of 6.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-acetyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 58456814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).