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

C23H29N5O — CID 56677002

IUPAC3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
SMILESCOc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12
InChIInChI=1S/C23H29N5O/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/h2-8,17-18,24H,9-16H2,1H3
InChIKeyBTTVJKUPEPLYOO-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.91
Rot. Bonds4

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

3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole (PubChem CID 56677002) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole.

Molecular Properties

Compound Name3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
PubChem CID56677002
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
SMILESCOc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12
InChIInChI=1S/C23H29N5O/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/h2-8,17-18,24H,9-16H2,1H3
InChIKeyBTTVJKUPEPLYOO-UHFFFAOYSA-N
XLogP2.91
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole?
The IUPAC name of 3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole (CID 56677002) is 3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole.
What is the SMILES notation for 3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole?
The canonical SMILES for 3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole is COc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12.
What is the InChIKey of 3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole?
The InChIKey is BTTVJKUPEPLYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/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/h2-8,17-18,24H,9-16H2,1H3.
What are the key properties of 3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole?
3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole has a molecular weight of 391.52 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole is sourced from PubChem (CID 56677002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).