6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde

C30H24ClN3O5 — CID 164566277

About 6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde

6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde (PubChem CID 164566277) has the molecular formula C30H24ClN3O5 and a molecular weight of 541.99 g/mol. Its IUPAC name is 6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde
• PubChem CID: 164566277
• Molecular Formula: C30H24ClN3O5
• Molecular Weight: 541.99 g/mol
• Exact Mass: 541.14
• IUPAC Name: 6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde
• SMILES: COc1cc(-c2nn(C)c3c(-c4cccc(-c5ccc(C=O)c(OC)n5)c4Cl)cccc23)cc(OC)c1C=O
• InChI: InChI=1S/C30H24ClN3O5/c1-34-29-20(19-7-5-9-21(27(19)31)24-12-11-17(15-35)30(32-24)39-4)8-6-10-22(29)28(33-34)18-13-25(37-2)23(16-36)26(14-18)38-3/h5-16H,1-4H3
• InChIKey: ILDXUBOALSIZMP-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 92.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.99
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde?

The IUPAC name of 6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde (CID 164566277) is 6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde.

What is the SMILES notation for 6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde?

The canonical SMILES for 6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde is COc1cc(-c2nn(C)c3c(-c4cccc(-c5ccc(C=O)c(OC)n5)c4Cl)cccc23)cc(OC)c1C=O.

What is the InChIKey of 6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde?

The InChIKey is ILDXUBOALSIZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN3O5/c1-34-29-20(19-7-5-9-21(27(19)31)24-12-11-17(15-35)30(32-24)39-4)8-6-10-22(29)28(33-34)18-13-25(37-2)23(16-36)26(14-18)38-3/h5-16H,1-4H3.

What are the key properties of 6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde?

6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 541.99 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 164566277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).