3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline

C22H18F2N4 — CID 156734142

IUPAC3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline
SMILESCN(Cc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1
InChIInChI=1S/C22H18F2N4/c1-28(19-12-16(23)11-17(24)13-19)14-15-5-7-21-20(10-15)22(27-26-21)8-6-18-4-2-3-9-25-18/h2-13H,14H2,1H3,(H,26,27)/b8-6+
InChIKeyBNMXHZKBTHOMBT-SOFGYWHQSA-N
MW376.41 g/mol
LogP5.04
Rot. Bonds5

About 3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline

3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline (PubChem CID 156734142) has the molecular formula C22H18F2N4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline.

Molecular Properties

Compound Name3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline
PubChem CID156734142
Molecular FormulaC22H18F2N4
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC Name3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline
SMILESCN(Cc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1
InChIInChI=1S/C22H18F2N4/c1-28(19-12-16(23)11-17(24)13-19)14-15-5-7-21-20(10-15)22(27-26-21)8-6-18-4-2-3-9-25-18/h2-13H,14H2,1H3,(H,26,27)/b8-6+
InChIKeyBNMXHZKBTHOMBT-SOFGYWHQSA-N
XLogP5.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline with MolForge

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Related Compounds

5-[(3,5-difluorophenyl)methyl]-3-(2-pyridin-2-ylethenyl)-2H-indazole
CID 175367489
3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole
CID 175206002
5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 156734155
1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea
CID 175206038
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-pyridin-2-ylethenyl)-2H-indazol-5-amine
CID 175202526
5-fluoro-N-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]pyridine-3-sulfonamide
CID 175198315
7-fluoro-3-(2-pyridin-2-ylethenyl)-2H-indazol-5-amine
CID 68932337
1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone
CID 123456736
3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine
CID 60875163
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine
CID 166336127
N,N-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]naphthalen-1-amine
CID 90435851

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline?
The IUPAC name of 3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline (CID 156734142) is 3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline.
What is the SMILES notation for 3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline?
The canonical SMILES for 3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline is CN(Cc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline?
The InChIKey is BNMXHZKBTHOMBT-SOFGYWHQSA-N. The full InChI is InChI=1S/C22H18F2N4/c1-28(19-12-16(23)11-17(24)13-19)14-15-5-7-21-20(10-15)22(27-26-21)8-6-18-4-2-3-9-25-18/h2-13H,14H2,1H3,(H,26,27)/b8-6+.
What are the key properties of 3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline?
3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline has a molecular weight of 376.41 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline is sourced from PubChem (CID 156734142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).