N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide

C23H18FN3O — CID 155667168

IUPACN-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2c3ccc(-c4cccc(F)c4)cc3nn2C)cc1
InChIInChI=1S/C23H18FN3O/c1-3-22(28)25-19-10-7-15(8-11-19)23-20-12-9-17(14-21(20)26-27(23)2)16-5-4-6-18(24)13-16/h3-14H,1H2,2H3,(H,25,28)
InChIKeyKFAIBBBEFWUGSD-UHFFFAOYSA-N
MW371.42 g/mol
LogP5.17
Rot. Bonds4

About N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide

N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide (PubChem CID 155667168) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide
PubChem CID155667168
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC NameN-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2c3ccc(-c4cccc(F)c4)cc3nn2C)cc1
InChIInChI=1S/C23H18FN3O/c1-3-22(28)25-19-10-7-15(8-11-19)23-20-12-9-17(14-21(20)26-27(23)2)16-5-4-6-18(24)13-16/h3-14H,1H2,2H3,(H,25,28)
InChIKeyKFAIBBBEFWUGSD-UHFFFAOYSA-N
XLogP5.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[6-(3-fluorophenyl)-2-methylindazol-3-yl]amino]azetidin-1-yl]prop-2-en-1-one
CID 155667178
N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide
CID 139520074
N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide
CID 162527695
3-fluoro-N-[6-[3-(prop-2-enoylamino)phenyl]quinolin-4-yl]benzamide
CID 162527103
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide
CID 166431642
1-(2,3-dimethylindazol-6-yl)-3-(4-fluorophenyl)urea
CID 74763932
N-[3-[[2-[3-(dimethylamino)propyl]-6-(2-fluorophenyl)indazol-3-yl]amino]phenyl]prop-2-enamide
CID 155667147
N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide
CID 162528250
N-[3-[6-amino-5-[2-amino-7-[3-(prop-2-enoylamino)phenyl]quinazolin-4-yl]naphthalen-2-yl]phenyl]prop-2-enamide
CID 166915143
N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide
CID 129189261

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide (CID 155667168) is N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-c2c3ccc(-c4cccc(F)c4)cc3nn2C)cc1.
What is the InChIKey of N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide?
The InChIKey is KFAIBBBEFWUGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c1-3-22(28)25-19-10-7-15(8-11-19)23-20-12-9-17(14-21(20)26-27(23)2)16-5-4-6-18(24)13-16/h3-14H,1H2,2H3,(H,25,28).
What are the key properties of N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide?
N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide has a molecular weight of 371.42 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 155667168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).