5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol

C29H28N6O2 — CID 135985508

About 5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol

5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol (PubChem CID 135985508) has the molecular formula C29H28N6O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol.

Molecular Properties

• Compound Name: 5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
• PubChem CID: 135985508
• Molecular Formula: C29H28N6O2
• Molecular Weight: 492.58 g/mol
• Exact Mass: 492.23
• IUPAC Name: 5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
• SMILES: COc1ccc2[nH]c(O)c(/C=c3\ccc4c(c3)N=NC=4/C=C/c3ccc(N4CCN(C)CC4)nc3)c2c1
• InChI: InChI=1S/C29H28N6O2/c1-34-11-13-35(14-12-34)28-10-5-19(18-30-28)4-8-26-22-7-3-20(16-27(22)33-32-26)15-24-23-17-21(37-2)6-9-25(23)31-29(24)36/h3-10,15-18,31,36H,11-14H2,1-2H3/b8-4+,20-15+
• InChIKey: VIQNOLGAERSTBP-WAQOSWGRSA-N
• XLogP: 3.78
• TPSA: 89.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.58
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?

The IUPAC name of 5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol (CID 135985508) is 5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol.

What is the SMILES notation for 5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?

The canonical SMILES for 5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol is COc1ccc2[nH]c(O)c(/C=c3\ccc4c(c3)N=NC=4/C=C/c3ccc(N4CCN(C)CC4)nc3)c2c1.

What is the InChIKey of 5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?

The InChIKey is VIQNOLGAERSTBP-WAQOSWGRSA-N. The full InChI is InChI=1S/C29H28N6O2/c1-34-11-13-35(14-12-34)28-10-5-19(18-30-28)4-8-26-22-7-3-20(16-27(22)33-32-26)15-24-23-17-21(37-2)6-9-25(23)31-29(24)36/h3-10,15-18,31,36H,11-14H2,1-2H3/b8-4+,20-15+.

What are the key properties of 5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol?

5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol has a molecular weight of 492.58 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol is sourced from PubChem (CID 135985508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).