2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine

C28H24N4O2 — CID 57425365

IUPAC2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESc1ccc2cc(-c3cnc4c(c3)nc(-c3ccc5c(c3)OCO5)n4C3CCNCC3)ccc2c1
InChIInChI=1S/C28H24N4O2/c1-2-4-19-13-20(6-5-18(19)3-1)22-14-24-28(30-16-22)32(23-9-11-29-12-10-23)27(31-24)21-7-8-25-26(15-21)34-17-33-25/h1-8,13-16,23,29H,9-12,17H2
InChIKeyDOQVZGAXHGJFOX-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.57
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine

2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine (PubChem CID 57425365) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
PubChem CID57425365
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESc1ccc2cc(-c3cnc4c(c3)nc(-c3ccc5c(c3)OCO5)n4C3CCNCC3)ccc2c1
InChIInChI=1S/C28H24N4O2/c1-2-4-19-13-20(6-5-18(19)3-1)22-14-24-28(30-16-22)32(23-9-11-29-12-10-23)27(31-24)21-7-8-25-26(15-21)34-17-33-25/h1-8,13-16,23,29H,9-12,17H2
InChIKeyDOQVZGAXHGJFOX-UHFFFAOYSA-N
XLogP5.57
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine 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

2-(4-methylphenyl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 57425345
2-(4-fluorophenyl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 57425385
2-(4-methoxyphenyl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 57425370
4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)benzonitrile
CID 57425362
2-(2-bromophenyl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 57425400
N-[4-(6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 57425386
6-naphthalen-2-yl-3-piperidin-4-yl-2-propylimidazo[4,5-b]pyridine
CID 57425348
3-(7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)quinoline
CID 25211297
6-chloro-2-(2-methylphenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 82144471
2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 57425309
4-(2-naphthalen-2-ylimidazol-1-yl)piperidine
CID 68729306
7-naphthalen-2-yl-2-(3-nitrophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 25212023

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine (CID 57425365) is 2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine is c1ccc2cc(-c3cnc4c(c3)nc(-c3ccc5c(c3)OCO5)n4C3CCNCC3)ccc2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is DOQVZGAXHGJFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-2-4-19-13-20(6-5-18(19)3-1)22-14-24-28(30-16-22)32(23-9-11-29-12-10-23)27(31-24)21-7-8-25-26(15-21)34-17-33-25/h1-8,13-16,23,29H,9-12,17H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 448.53 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 57425365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).