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

C23H17FN6O — CID 20789119

IUPACN-[(4-fluorophenyl)methyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C23H17FN6O/c24-18-7-4-14(5-8-18)12-25-23(31)17-3-1-2-15(10-17)21-19-11-16(22-26-13-27-30-22)6-9-20(19)28-29-21/h1-11,13H,12H2,(H,25,31)(H,28,29)(H,26,27,30)
InChIKeyHUIUCWDQWOMHBH-UHFFFAOYSA-N
MW412.43 g/mol
LogP4.08
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 20789119) has the molecular formula C23H17FN6O and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID20789119
Molecular FormulaC23H17FN6O
Molecular Weight412.43 g/mol
Exact Mass412.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C23H17FN6O/c24-18-7-4-14(5-8-18)12-25-23(31)17-3-1-2-15(10-17)21-19-11-16(22-26-13-27-30-22)6-9-20(19)28-29-21/h1-11,13H,12H2,(H,25,31)(H,28,29)(H,26,27,30)
InChIKeyHUIUCWDQWOMHBH-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 20789119) is N-[(4-fluorophenyl)methyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is O=C(NCc1ccc(F)cc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is HUIUCWDQWOMHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O/c24-18-7-4-14(5-8-18)12-25-23(31)17-3-1-2-15(10-17)21-19-11-16(22-26-13-27-30-22)6-9-20(19)28-29-21/h1-11,13H,12H2,(H,25,31)(H,28,29)(H,26,27,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
N-[(4-fluorophenyl)methyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 412.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 20789119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).