1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C22H27N3 — CID 142759333

IUPAC1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2CCc2cccnc2)CC(C)N(C)C1C
InChIInChI=1S/C22H27N3/c1-15-7-8-20-19(12-15)22-17(3)24(4)16(2)13-21(22)25(20)11-9-18-6-5-10-23-14-18/h5-8,10,12,14,16-17H,9,11,13H2,1-4H3
InChIKeySHELIOJSRMNCBQ-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.52
Rot. Bonds3

About 1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759333) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID142759333
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2CCc2cccnc2)CC(C)N(C)C1C
InChIInChI=1S/C22H27N3/c1-15-7-8-20-19(12-15)22-17(3)24(4)16(2)13-21(22)25(20)11-9-18-6-5-10-23-14-18/h5-8,10,12,14,16-17H,9,11,13H2,1-4H3
InChIKeySHELIOJSRMNCBQ-UHFFFAOYSA-N
XLogP4.52
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole 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

1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759440
1,2,3-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142758902
5-methoxy-15-methyl-9-(2-pyridin-3-ylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 142758930
16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 142759372
8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 58147125
5,16-dimethyl-9-(2-pyridin-4-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraene
CID 142759237
8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759561
(1R,12S)-5,15-dimethyl-9-[2-(2-methylpyrimidin-5-yl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 67545479
5-methyl-9-[2-(6-methyl-3-pyridinyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 50923074
2-ethyl-3,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51030754
1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759216
(1R,12S)-5-methyl-9-[2-(6-methyl-3-pyridinyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid
CID 67544775

Frequently Asked Questions

What is the IUPAC name of 1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759333) is 1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2CCc2cccnc2)CC(C)N(C)C1C.
What is the InChIKey of 1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is SHELIOJSRMNCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-15-7-8-20-19(12-15)22-17(3)24(4)16(2)13-21(22)25(20)11-9-18-6-5-10-23-14-18/h5-8,10,12,14,16-17H,9,11,13H2,1-4H3.
What are the key properties of 1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 333.48 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).