6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile

C25H23FN6O — CID 162672659

IUPAC6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile
SMILESCOc1cccc(F)c1-c1cc2c(cnn2-c2cccc(N3CCN(C)CC3)n2)cc1C#N
InChIInChI=1S/C25H23FN6O/c1-30-9-11-31(12-10-30)23-7-4-8-24(29-23)32-21-14-19(17(15-27)13-18(21)16-28-32)25-20(26)5-3-6-22(25)33-2/h3-8,13-14,16H,9-12H2,1-2H3
InChIKeyBEABCZGDGKSOBY-UHFFFAOYSA-N
MW442.50 g/mol
LogP3.86
Rot. Bonds4

About 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile

6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile (PubChem CID 162672659) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile.

Molecular Properties

Compound Name6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile
PubChem CID162672659
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC Name6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile
SMILESCOc1cccc(F)c1-c1cc2c(cnn2-c2cccc(N3CCN(C)CC3)n2)cc1C#N
InChIInChI=1S/C25H23FN6O/c1-30-9-11-31(12-10-30)23-7-4-8-24(29-23)32-21-14-19(17(15-27)13-18(21)16-28-32)25-20(26)5-3-6-22(25)33-2/h3-8,13-14,16H,9-12H2,1-2H3
InChIKeyBEABCZGDGKSOBY-UHFFFAOYSA-N
XLogP3.86
TPSA70.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile 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 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile?
The IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile (CID 162672659) is 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile.
What is the SMILES notation for 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile?
The canonical SMILES for 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile is COc1cccc(F)c1-c1cc2c(cnn2-c2cccc(N3CCN(C)CC3)n2)cc1C#N.
What is the InChIKey of 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile?
The InChIKey is BEABCZGDGKSOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O/c1-30-9-11-31(12-10-30)23-7-4-8-24(29-23)32-21-14-19(17(15-27)13-18(21)16-28-32)25-20(26)5-3-6-22(25)33-2/h3-8,13-14,16H,9-12H2,1-2H3.
What are the key properties of 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile?
6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile has a molecular weight of 442.50 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile is sourced from PubChem (CID 162672659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).