4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole

C34H37N5 — CID 90013908

IUPAC4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
SMILESCN1CCN(c2ccc(-c3ccc4[nH]c5nccc(N6CCC(Cc7ccccc7)CC6)c5c4c3)cc2)CC1
InChIInChI=1S/C34H37N5/c1-37-19-21-38(22-20-37)29-10-7-27(8-11-29)28-9-12-31-30(24-28)33-32(13-16-35-34(33)36-31)39-17-14-26(15-18-39)23-25-5-3-2-4-6-25/h2-13,16,24,26H,14-15,17-23H2,1H3,(H,35,36)
InChIKeyQPRYFBLLSBIUNB-UHFFFAOYSA-N
MW515.71 g/mol
LogP6.59
Rot. Bonds5

About 4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole

4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole (PubChem CID 90013908) has the molecular formula C34H37N5 and a molecular weight of 515.71 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
PubChem CID90013908
Molecular FormulaC34H37N5
Molecular Weight515.71 g/mol
Exact Mass515.30
IUPAC Name4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
SMILESCN1CCN(c2ccc(-c3ccc4[nH]c5nccc(N6CCC(Cc7ccccc7)CC6)c5c4c3)cc2)CC1
InChIInChI=1S/C34H37N5/c1-37-19-21-38(22-20-37)29-10-7-27(8-11-29)28-9-12-31-30(24-28)33-32(13-16-35-34(33)36-31)39-17-14-26(15-18-39)23-25-5-3-2-4-6-25/h2-13,16,24,26H,14-15,17-23H2,1H3,(H,35,36)
InChIKeyQPRYFBLLSBIUNB-UHFFFAOYSA-N
XLogP6.59
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.71
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole (CID 90013908) is 4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole is CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(N6CCC(Cc7ccccc7)CC6)c5c4c3)cc2)CC1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole?
The InChIKey is QPRYFBLLSBIUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5/c1-37-19-21-38(22-20-37)29-10-7-27(8-11-29)28-9-12-31-30(24-28)33-32(13-16-35-34(33)36-31)39-17-14-26(15-18-39)23-25-5-3-2-4-6-25/h2-13,16,24,26H,14-15,17-23H2,1H3,(H,35,36).
What are the key properties of 4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole?
4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole has a molecular weight of 515.71 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 90013908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).