4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole

C23H16FN7 — CID 146433462

IUPAC4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
SMILESCc1cccc(-n2nccc2-c2cc(F)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)c1
InChIInChI=1S/C23H16FN7/c1-14-3-2-4-17(9-14)30-21(7-8-26-30)16-10-19(24)23-22(11-16)31(29-28-23)18-6-5-15-13-25-27-20(15)12-18/h2-13H,1H3,(H,25,27)
InChIKeyOXPMVNNPKCHSJE-UHFFFAOYSA-N
MW409.43 g/mol
LogP4.60
Rot. Bonds3

About 4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole

4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole (PubChem CID 146433462) has the molecular formula C23H16FN7 and a molecular weight of 409.43 g/mol. Its IUPAC name is 4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole.

Molecular Properties

Compound Name4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
PubChem CID146433462
Molecular FormulaC23H16FN7
Molecular Weight409.43 g/mol
Exact Mass409.15
IUPAC Name4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
SMILESCc1cccc(-n2nccc2-c2cc(F)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)c1
InChIInChI=1S/C23H16FN7/c1-14-3-2-4-17(9-14)30-21(7-8-26-30)16-10-19(24)23-22(11-16)31(29-28-23)18-6-5-15-13-25-27-20(15)12-18/h2-13H,1H3,(H,25,27)
InChIKeyOXPMVNNPKCHSJE-UHFFFAOYSA-N
XLogP4.60
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole?
The IUPAC name of 4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole (CID 146433462) is 4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole.
What is the SMILES notation for 4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole?
The canonical SMILES for 4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole is Cc1cccc(-n2nccc2-c2cc(F)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)c1.
What is the InChIKey of 4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole?
The InChIKey is OXPMVNNPKCHSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN7/c1-14-3-2-4-17(9-14)30-21(7-8-26-30)16-10-19(24)23-22(11-16)31(29-28-23)18-6-5-15-13-25-27-20(15)12-18/h2-13H,1H3,(H,25,27).
What are the key properties of 4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole?
4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole has a molecular weight of 409.43 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole is sourced from PubChem (CID 146433462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).