3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole

C29H34ClN5O2 — CID 18184097

About 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole

3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole (PubChem CID 18184097) has the molecular formula C29H34ClN5O2 and a molecular weight of 520.08 g/mol. Its IUPAC name is 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole.

Molecular Properties

• Compound Name: 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole
• PubChem CID: 18184097
• Molecular Formula: C29H34ClN5O2
• Molecular Weight: 520.08 g/mol
• Exact Mass: 519.24
• IUPAC Name: 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole
• SMILES: COc1cc2c(CC(C)N3CCN(c4cccc(Cl)c4C)CC3)nn(Cc3cccnc3)c2cc1OC
• InChI: InChI=1S/C29H34ClN5O2/c1-20(33-11-13-34(14-12-33)26-9-5-8-24(30)21(26)2)15-25-23-16-28(36-3)29(37-4)17-27(23)35(32-25)19-22-7-6-10-31-18-22/h5-10,16-18,20H,11-15,19H2,1-4H3
• InChIKey: CUDVIWJVHUIYQM-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 55.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.08
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole?

The IUPAC name of 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole (CID 18184097) is 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole.

What is the SMILES notation for 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole?

The canonical SMILES for 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole is COc1cc2c(CC(C)N3CCN(c4cccc(Cl)c4C)CC3)nn(Cc3cccnc3)c2cc1OC.

What is the InChIKey of 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole?

The InChIKey is CUDVIWJVHUIYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN5O2/c1-20(33-11-13-34(14-12-33)26-9-5-8-24(30)21(26)2)15-25-23-16-28(36-3)29(37-4)17-27(23)35(32-25)19-22-7-6-10-31-18-22/h5-10,16-18,20H,11-15,19H2,1-4H3.

What are the key properties of 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole?

3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole has a molecular weight of 520.08 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5,6-dimethoxy-1-(pyridin-3-ylmethyl)indazole is sourced from PubChem (CID 18184097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).