1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine

C24H23ClN4O2 — CID 12786992

About 1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine

1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine (PubChem CID 12786992) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine.

Molecular Properties

• Compound Name: 1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine
• PubChem CID: 12786992
• Molecular Formula: C24H23ClN4O2
• Molecular Weight: 434.93 g/mol
• Exact Mass: 434.15
• IUPAC Name: 1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine
• SMILES: COc1ccc(CC/N=C/c2cc3c(C)nn(-c4ccccc4)c3nc2Cl)cc1OC
• InChI: InChI=1S/C24H23ClN4O2/c1-16-20-14-18(15-26-12-11-17-9-10-21(30-2)22(13-17)31-3)23(25)27-24(20)29(28-16)19-7-5-4-6-8-19/h4-10,13-15H,11-12H2,1-3H3/b26-15+
• InChIKey: XMNYTGRNBVXBHV-CVKSISIWSA-N
• XLogP: 5.06
• TPSA: 61.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.93
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine?

The IUPAC name of 1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine (CID 12786992) is 1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine.

What is the SMILES notation for 1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine?

The canonical SMILES for 1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine is COc1ccc(CC/N=C/c2cc3c(C)nn(-c4ccccc4)c3nc2Cl)cc1OC.

What is the InChIKey of 1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine?

The InChIKey is XMNYTGRNBVXBHV-CVKSISIWSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-16-20-14-18(15-26-12-11-17-9-10-21(30-2)22(13-17)31-3)23(25)27-24(20)29(28-16)19-7-5-4-6-8-19/h4-10,13-15H,11-12H2,1-3H3/b26-15+.

What are the key properties of 1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine?

1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine has a molecular weight of 434.93 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine is sourced from PubChem (CID 12786992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).