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

C24H30N4 — CID 58147125

IUPAC8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2CCc2cccnc2)CCN(C2CCNCC2)C1
InChIInChI=1S/C24H30N4/c1-18-4-5-23-21(15-18)22-17-27(20-6-11-25-12-7-20)13-9-24(22)28(23)14-8-19-3-2-10-26-16-19/h2-5,10,15-16,20,25H,6-9,11-14,17H2,1H3
InChIKeyGTNVLPGWSSUGBK-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.70
Rot. Bonds4

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

8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 58147125) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID58147125
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2CCc2cccnc2)CCN(C2CCNCC2)C1
InChIInChI=1S/C24H30N4/c1-18-4-5-23-21(15-18)22-17-27(20-6-11-25-12-7-20)13-9-24(22)28(23)14-8-19-3-2-10-26-16-19/h2-5,10,15-16,20,25H,6-9,11-14,17H2,1H3
InChIKeyGTNVLPGWSSUGBK-UHFFFAOYSA-N
XLogP3.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 70261579
8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 140550833
2,9-dimethyl-6-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydroazepino[4,3-b]indole
CID 58159614
2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 143825782
2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;ethane
CID 143998170
1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759333
2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 25233167
2-tert-butyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 157215260
1-[2-[8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethyl]imidazolidin-2-one
CID 70260624
5-[2-(4-ethylphenyl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 58147048
8-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid
CID 70843060
14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
CID 71007600

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 58147125) is 8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2CCc2cccnc2)CCN(C2CCNCC2)C1.
What is the InChIKey of 8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is GTNVLPGWSSUGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-18-4-5-23-21(15-18)22-17-27(20-6-11-25-12-7-20)13-9-24(22)28(23)14-8-19-3-2-10-26-16-19/h2-5,10,15-16,20,25H,6-9,11-14,17H2,1H3.
What are the key properties of 8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 374.53 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 58147125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).