3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline

C23H19N3 — CID 162400374

IUPAC3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
SMILESc1ccc(Cc2cc(-c3ccccn3)n3c2-c2ccccc2CC3)nc1
InChIInChI=1S/C23H19N3/c1-2-9-20-17(7-1)11-14-26-22(21-10-4-6-13-25-21)16-18(23(20)26)15-19-8-3-5-12-24-19/h1-10,12-13,16H,11,14-15H2
InChIKeyJQAXVMMSEGSUSS-UHFFFAOYSA-N
MW337.43 g/mol
LogP4.76
Rot. Bonds3

About 3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline

3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline (PubChem CID 162400374) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
PubChem CID162400374
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC Name3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
SMILESc1ccc(Cc2cc(-c3ccccn3)n3c2-c2ccccc2CC3)nc1
InChIInChI=1S/C23H19N3/c1-2-9-20-17(7-1)11-14-26-22(21-10-4-6-13-25-21)16-18(23(20)26)15-19-8-3-5-12-24-19/h1-10,12-13,16H,11,14-15H2
InChIKeyJQAXVMMSEGSUSS-UHFFFAOYSA-N
XLogP4.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline 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

Latrepirdine
CID 197033
Decussine
CID 156336
4-(4-Methylpiperazino)-2-(2-pyridyl)quinoline
CID 453063
Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-
CID 453068
3-Phenylisoquinoline
CID 609614
1-Phenylisoquinoline
CID 137882
Indeno(1,2,3-ij)(2,7)naphthyridine
CID 72486
2-(2-Pyridinyl)quinoline
CID 609911
2-Phenylindolizine
CID 96128
4-(4-Methylpiperazino)-2-(4-pyridyl)quinoline
CID 453071
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
4-[1-ethyl-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridine
CID 11012564

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The IUPAC name of 3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline (CID 162400374) is 3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline is c1ccc(Cc2cc(-c3ccccn3)n3c2-c2ccccc2CC3)nc1.
What is the InChIKey of 3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The InChIKey is JQAXVMMSEGSUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3/c1-2-9-20-17(7-1)11-14-26-22(21-10-4-6-13-25-21)16-18(23(20)26)15-19-8-3-5-12-24-19/h1-10,12-13,16H,11,14-15H2.
What are the key properties of 3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline?
3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline has a molecular weight of 337.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 162400374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).