5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile

C24H16ClN7 — CID 171494572

About 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile

5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile (PubChem CID 171494572) has the molecular formula C24H16ClN7 and a molecular weight of 437.89 g/mol. Its IUPAC name is 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile
• PubChem CID: 171494572
• Molecular Formula: C24H16ClN7
• Molecular Weight: 437.89 g/mol
• Exact Mass: 437.12
• IUPAC Name: 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile
• SMILES: N#Cc1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CCl)cc4)c3n2)cn1
• InChI: InChI=1S/C24H16ClN7/c25-12-15-3-7-18(8-4-15)32-23(19-2-1-11-28-22(19)27)31-21-10-9-20(30-24(21)32)16-5-6-17(13-26)29-14-16/h1-11,14H,12H2,(H2,27,28)
• InChIKey: JLCMUDAZBJYOGT-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 106.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.89
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile?

The IUPAC name of 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile (CID 171494572) is 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile?

The canonical SMILES for 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile is N#Cc1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CCl)cc4)c3n2)cn1.

What is the InChIKey of 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile?

The InChIKey is JLCMUDAZBJYOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN7/c25-12-15-3-7-18(8-4-15)32-23(19-2-1-11-28-22(19)27)31-21-10-9-20(30-24(21)32)16-5-6-17(13-26)29-14-16/h1-11,14H,12H2,(H2,27,28).

What are the key properties of 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile?

5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile has a molecular weight of 437.89 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 171494572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).