5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

C22H24ClN7O2 — CID 134455795

About 5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 134455795) has the molecular formula C22H24ClN7O2 and a molecular weight of 453.93 g/mol. Its IUPAC name is 5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
• PubChem CID: 134455795
• Molecular Formula: C22H24ClN7O2
• Molecular Weight: 453.93 g/mol
• Exact Mass: 453.17
• IUPAC Name: 5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
• SMILES: COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-n1cnc(C)n1
• InChI: InChI=1S/C22H24ClN7O2/c1-13-24-12-29(28-13)17-8-6-7-15(21(17)31-3)26-16-11-18(23)27-22-20(16)25-14(2)30(22)19-9-4-5-10-32-19/h6-8,11-12,19H,4-5,9-10H2,1-3H3,(H,26,27)
• InChIKey: MSHLSGGDJXVGQW-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 91.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.93
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

The IUPAC name of 5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (CID 134455795) is 5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.

What is the SMILES notation for 5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

The canonical SMILES for 5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-n1cnc(C)n1.

What is the InChIKey of 5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

The InChIKey is MSHLSGGDJXVGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O2/c1-13-24-12-29(28-13)17-8-6-7-15(21(17)31-3)26-16-11-18(23)27-22-20(16)25-14(2)30(22)19-9-4-5-10-32-19/h6-8,11-12,19H,4-5,9-10H2,1-3H3,(H,26,27).

What are the key properties of 5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 453.93 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134455795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).