3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine

C30H22N2 — CID 89304024

IUPAC3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine
SMILESC1=CC2=CC3=C4C(=CC=C5C=CC(c6ccc(-c7cccnc7)cc6)=C(CC3)C54)C2N=C1
InChIInChI=1S/C30H22N2/c1-4-24(18-31-15-1)19-5-7-20(8-6-19)25-12-9-21-10-14-27-29-22(11-13-26(25)28(21)29)17-23-3-2-16-32-30(23)27/h1-10,12,14-18,28,30H,11,13H2
InChIKeyCPYFKXWZYCUQKN-UHFFFAOYSA-N
MW410.52 g/mol
LogP6.59
Rot. Bonds2

About 3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine

3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine (PubChem CID 89304024) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine.

Molecular Properties

Compound Name3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine
PubChem CID89304024
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine
SMILESC1=CC2=CC3=C4C(=CC=C5C=CC(c6ccc(-c7cccnc7)cc6)=C(CC3)C54)C2N=C1
InChIInChI=1S/C30H22N2/c1-4-24(18-31-15-1)19-5-7-20(8-6-19)25-12-9-21-10-14-27-29-22(11-13-26(25)28(21)29)17-23-3-2-16-32-30(23)27/h1-10,12,14-18,28,30H,11,13H2
InChIKeyCPYFKXWZYCUQKN-UHFFFAOYSA-N
XLogP6.59
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine?
The IUPAC name of 3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine (CID 89304024) is 3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine.
What is the SMILES notation for 3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine?
The canonical SMILES for 3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine is C1=CC2=CC3=C4C(=CC=C5C=CC(c6ccc(-c7cccnc7)cc6)=C(CC3)C54)C2N=C1.
What is the InChIKey of 3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine?
The InChIKey is CPYFKXWZYCUQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-4-24(18-31-15-1)19-5-7-20(8-6-19)25-12-9-21-10-14-27-29-22(11-13-26(25)28(21)29)17-23-3-2-16-32-30(23)27/h1-10,12,14-18,28,30H,11,13H2.
What are the key properties of 3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine?
3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine has a molecular weight of 410.52 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine is sourced from PubChem (CID 89304024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).