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

C25H32N4 — CID 54582000

IUPAC8-methyl-2-(1-methylpiperidin-4-yl)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2CCc2cccnc2)CCN(C2CCN(C)CC2)C1
InChIInChI=1S/C25H32N4/c1-19-5-6-24-22(16-19)23-18-28(21-8-12-27(2)13-9-21)14-10-25(23)29(24)15-7-20-4-3-11-26-17-20/h3-6,11,16-17,21H,7-10,12-15,18H2,1-2H3
InChIKeyBDDPDGBPFDDYBY-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.04
Rot. Bonds4

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

8-methyl-2-(1-methylpiperidin-4-yl)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 54582000) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is 8-methyl-2-(1-methylpiperidin-4-yl)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methyl-2-(1-methylpiperidin-4-yl)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID54582000
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC Name8-methyl-2-(1-methylpiperidin-4-yl)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2CCc2cccnc2)CCN(C2CCN(C)CC2)C1
InChIInChI=1S/C25H32N4/c1-19-5-6-24-22(16-19)23-18-28(21-8-12-27(2)13-9-21)14-10-25(23)29(24)15-7-20-4-3-11-26-17-20/h3-6,11,16-17,21H,7-10,12-15,18H2,1-2H3
InChIKeyBDDPDGBPFDDYBY-UHFFFAOYSA-N
XLogP4.04
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.04
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 8-methyl-2-(1-methylpiperidin-4-yl)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-methyl-2-(1-methylpiperidin-4-yl)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 54582000) is 8-methyl-2-(1-methylpiperidin-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-(1-methylpiperidin-4-yl)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-methyl-2-(1-methylpiperidin-4-yl)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2CCc2cccnc2)CCN(C2CCN(C)CC2)C1.
What is the InChIKey of 8-methyl-2-(1-methylpiperidin-4-yl)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is BDDPDGBPFDDYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4/c1-19-5-6-24-22(16-19)23-18-28(21-8-12-27(2)13-9-21)14-10-25(23)29(24)15-7-20-4-3-11-26-17-20/h3-6,11,16-17,21H,7-10,12-15,18H2,1-2H3.
What are the key properties of 8-methyl-2-(1-methylpiperidin-4-yl)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-methyl-2-(1-methylpiperidin-4-yl)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 388.56 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(1-methylpiperidin-4-yl)-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 54582000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).