3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide

C22H14F2N4O — CID 22261045

IUPAC3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCc2cc3c(-c4cccc(F)c4)n[nH]c3cc2F)c1
InChIInChI=1S/C22H14F2N4O/c23-17-6-2-4-14(8-17)21-18-9-16(19(24)10-20(18)27-28-21)12-26-22(29)15-5-1-3-13(7-15)11-25/h1-10H,12H2,(H,26,29)(H,27,28)
InChIKeyLSTJMTIJGXYPJM-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.31
Rot. Bonds4

About 3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide

3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide (PubChem CID 22261045) has the molecular formula C22H14F2N4O and a molecular weight of 388.38 g/mol. Its IUPAC name is 3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide
PubChem CID22261045
Molecular FormulaC22H14F2N4O
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCc2cc3c(-c4cccc(F)c4)n[nH]c3cc2F)c1
InChIInChI=1S/C22H14F2N4O/c23-17-6-2-4-14(8-17)21-18-9-16(19(24)10-20(18)27-28-21)12-26-22(29)15-5-1-3-13(7-15)11-25/h1-10H,12H2,(H,26,29)(H,27,28)
InChIKeyLSTJMTIJGXYPJM-UHFFFAOYSA-N
XLogP4.31
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]pyridine-3-carboxamide
CID 22260966
6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile
CID 22260849
N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide
CID 22260912
3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 22260682
3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359606
N-[[2-(2-amino-2-oxoethoxy)-4-cyanophenyl]methyl]-3-fluorobenzamide
CID 58653948
3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide
CID 175236372
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide
CID 165385026
3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 110645268
3-cyano-N-(pyridazin-3-ylmethyl)benzamide
CID 106832275
1-(3-cyanophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874335
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide?
The IUPAC name of 3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide (CID 22261045) is 3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide?
The canonical SMILES for 3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide is N#Cc1cccc(C(=O)NCc2cc3c(-c4cccc(F)c4)n[nH]c3cc2F)c1.
What is the InChIKey of 3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide?
The InChIKey is LSTJMTIJGXYPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4O/c23-17-6-2-4-14(8-17)21-18-9-16(19(24)10-20(18)27-28-21)12-26-22(29)15-5-1-3-13(7-15)11-25/h1-10H,12H2,(H,26,29)(H,27,28).
What are the key properties of 3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide?
3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide has a molecular weight of 388.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide is sourced from PubChem (CID 22261045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).