3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole

C23H23N5O — CID 58483622

IUPAC3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole
SMILESCOc1nn(-c2ccccc2)c2cc(N3CCN(c4ccncc4)CC3)ccc12
InChIInChI=1S/C23H23N5O/c1-29-23-21-8-7-20(17-22(21)28(25-23)19-5-3-2-4-6-19)27-15-13-26(14-16-27)18-9-11-24-12-10-18/h2-12,17H,13-16H2,1H3
InChIKeyGHQSTXUHIHJXMG-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.76
Rot. Bonds4

About 3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole

3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole (PubChem CID 58483622) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole.

Molecular Properties

Compound Name3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole
PubChem CID58483622
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole
SMILESCOc1nn(-c2ccccc2)c2cc(N3CCN(c4ccncc4)CC3)ccc12
InChIInChI=1S/C23H23N5O/c1-29-23-21-8-7-20(17-22(21)28(25-23)19-5-3-2-4-6-19)27-15-13-26(14-16-27)18-9-11-24-12-10-18/h2-12,17H,13-16H2,1H3
InChIKeyGHQSTXUHIHJXMG-UHFFFAOYSA-N
XLogP3.76
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole?
The IUPAC name of 3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole (CID 58483622) is 3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole.
What is the SMILES notation for 3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole?
The canonical SMILES for 3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole is COc1nn(-c2ccccc2)c2cc(N3CCN(c4ccncc4)CC3)ccc12.
What is the InChIKey of 3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole?
The InChIKey is GHQSTXUHIHJXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-29-23-21-8-7-20(17-22(21)28(25-23)19-5-3-2-4-6-19)27-15-13-26(14-16-27)18-9-11-24-12-10-18/h2-12,17H,13-16H2,1H3.
What are the key properties of 3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole?
3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole has a molecular weight of 385.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole is sourced from PubChem (CID 58483622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).