6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole

C25H25FN4 — CID 162646523

IUPAC6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole
SMILESCc1cccc(F)c1-c1ccc2cnn(-c3ccc(N4CCN(C)CC4)cc3)c2c1
InChIInChI=1S/C25H25FN4/c1-18-4-3-5-23(26)25(18)19-6-7-20-17-27-30(24(20)16-19)22-10-8-21(9-11-22)29-14-12-28(2)13-15-29/h3-11,16-17H,12-15H2,1-2H3
InChIKeyGONTZZGHVIOSOV-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.89
Rot. Bonds3

About 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole

6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole (PubChem CID 162646523) has the molecular formula C25H25FN4 and a molecular weight of 400.50 g/mol. Its IUPAC name is 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole.

Molecular Properties

Compound Name6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole
PubChem CID162646523
Molecular FormulaC25H25FN4
Molecular Weight400.50 g/mol
Exact Mass400.21
IUPAC Name6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole
SMILESCc1cccc(F)c1-c1ccc2cnn(-c3ccc(N4CCN(C)CC4)cc3)c2c1
InChIInChI=1S/C25H25FN4/c1-18-4-3-5-23(26)25(18)19-6-7-20-17-27-30(24(20)16-19)22-10-8-21(9-11-22)29-14-12-28(2)13-15-29/h3-11,16-17H,12-15H2,1-2H3
InChIKeyGONTZZGHVIOSOV-UHFFFAOYSA-N
XLogP4.89
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole?
The IUPAC name of 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole (CID 162646523) is 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole.
What is the SMILES notation for 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole?
The canonical SMILES for 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole is Cc1cccc(F)c1-c1ccc2cnn(-c3ccc(N4CCN(C)CC4)cc3)c2c1.
What is the InChIKey of 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole?
The InChIKey is GONTZZGHVIOSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4/c1-18-4-3-5-23(26)25(18)19-6-7-20-17-27-30(24(20)16-19)22-10-8-21(9-11-22)29-14-12-28(2)13-15-29/h3-11,16-17H,12-15H2,1-2H3.
What are the key properties of 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole?
6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole has a molecular weight of 400.50 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]indazole is sourced from PubChem (CID 162646523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).