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

C23H17FN6O — CID 22480229

IUPAC2-(4-fluorophenyl)-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C23H17FN6O/c24-17-7-4-14(5-8-17)10-21(31)27-18-3-1-2-15(11-18)22-19-12-16(23-25-13-26-30-23)6-9-20(19)28-29-22/h1-9,11-13H,10H2,(H,27,31)(H,28,29)(H,25,26,30)
InChIKeyCQQDGYBNJHZQMU-UHFFFAOYSA-N
MW412.43 g/mol
LogP4.34
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide (PubChem CID 22480229) has the molecular formula C23H17FN6O and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide
PubChem CID22480229
Molecular FormulaC23H17FN6O
Molecular Weight412.43 g/mol
Exact Mass412.14
IUPAC Name2-(4-fluorophenyl)-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C23H17FN6O/c24-17-7-4-14(5-8-17)10-21(31)27-18-3-1-2-15(11-18)22-19-12-16(23-25-13-26-30-23)6-9-20(19)28-29-22/h1-9,11-13H,10H2,(H,27,31)(H,28,29)(H,25,26,30)
InChIKeyCQQDGYBNJHZQMU-UHFFFAOYSA-N
XLogP4.34
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide (CID 22480229) is 2-(4-fluorophenyl)-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide?
The InChIKey is CQQDGYBNJHZQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O/c24-17-7-4-14(5-8-17)10-21(31)27-18-3-1-2-15(11-18)22-19-12-16(23-25-13-26-30-23)6-9-20(19)28-29-22/h1-9,11-13H,10H2,(H,27,31)(H,28,29)(H,25,26,30).
What are the key properties of 2-(4-fluorophenyl)-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide?
2-(4-fluorophenyl)-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide has a molecular weight of 412.43 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 22480229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).