N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

C22H15FN6O — CID 11176981

IUPACN-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C22H15FN6O/c23-16-5-7-17(8-6-16)26-22(30)15-3-1-2-13(10-15)20-18-11-14(21-24-12-25-29-21)4-9-19(18)27-28-20/h1-12H,(H,26,30)(H,27,28)(H,24,25,29)
InChIKeyWLVQXWADNUWCOS-UHFFFAOYSA-N
MW398.40 g/mol
LogP4.41
Rot. Bonds4

About N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 11176981) has the molecular formula C22H15FN6O and a molecular weight of 398.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID11176981
Molecular FormulaC22H15FN6O
Molecular Weight398.40 g/mol
Exact Mass398.13
IUPAC NameN-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C22H15FN6O/c23-16-5-7-17(8-6-16)26-22(30)15-3-1-2-13(10-15)20-18-11-14(21-24-12-25-29-21)4-9-19(18)27-28-20/h1-12H,(H,26,30)(H,27,28)(H,24,25,29)
InChIKeyWLVQXWADNUWCOS-UHFFFAOYSA-N
XLogP4.41
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 11176981) is N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is O=C(Nc1ccc(F)cc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is WLVQXWADNUWCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6O/c23-16-5-7-17(8-6-16)26-22(30)15-3-1-2-13(10-15)20-18-11-14(21-24-12-25-29-21)4-9-19(18)27-28-20/h1-12H,(H,26,30)(H,27,28)(H,24,25,29).
What are the key properties of N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 398.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 11176981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).