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

C24H24N4 — CID 54581998

IUPAC2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(-c4cccnc4)ccc3n2CCc2ccccn2)C1
InChIInChI=1S/C24H24N4/c1-27-13-10-24-22(17-27)21-15-18(19-5-4-11-25-16-19)7-8-23(21)28(24)14-9-20-6-2-3-12-26-20/h2-8,11-12,15-16H,9-10,13-14,17H2,1H3
InChIKeyTZBFBARTOUGERH-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.33
Rot. Bonds4

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

2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 54581998) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID54581998
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(-c4cccnc4)ccc3n2CCc2ccccn2)C1
InChIInChI=1S/C24H24N4/c1-27-13-10-24-22(17-27)21-15-18(19-5-4-11-25-16-19)7-8-23(21)28(24)14-9-20-6-2-3-12-26-20/h2-8,11-12,15-16H,9-10,13-14,17H2,1H3
InChIKeyTZBFBARTOUGERH-UHFFFAOYSA-N
XLogP4.33
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 54581998) is 2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3cc(-c4cccnc4)ccc3n2CCc2ccccn2)C1.
What is the InChIKey of 2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is TZBFBARTOUGERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-27-13-10-24-22(17-27)21-15-18(19-5-4-11-25-16-19)7-8-23(21)28(24)14-9-20-6-2-3-12-26-20/h2-8,11-12,15-16H,9-10,13-14,17H2,1H3.
What are the key properties of 2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 368.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 54581998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).