3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C24H21N5 — CID 171069015

About 3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171069015) has the molecular formula C24H21N5 and a molecular weight of 379.47 g/mol. Its IUPAC name is 3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 171069015
• Molecular Formula: C24H21N5
• Molecular Weight: 379.47 g/mol
• Exact Mass: 379.18
• IUPAC Name: 3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: Cc1ccc(-n2c(-c3cccnc3N)nc3ccc(C4=CCCC=C4)nc32)cc1
• InChI: InChI=1S/C24H21N5/c1-16-9-11-18(12-10-16)29-23(19-8-5-15-26-22(19)25)28-21-14-13-20(27-24(21)29)17-6-3-2-4-7-17/h3,5-15H,2,4H2,1H3,(H2,25,26)
• InChIKey: AUSUZTINMOXIJX-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 69.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	379.47
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171069015) is 3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Cc1ccc(-n2c(-c3cccnc3N)nc3ccc(C4=CCCC=C4)nc32)cc1.

What is the InChIKey of 3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is AUSUZTINMOXIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5/c1-16-9-11-18(12-10-16)29-23(19-8-5-15-26-22(19)25)28-21-14-13-20(27-24(21)29)17-6-3-2-4-7-17/h3,5-15H,2,4H2,1H3,(H2,25,26).

What are the key properties of 3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 379.47 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171069015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).