5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one

C21H18F2N4O — CID 122623577

IUPAC5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(N)c3c(F)nn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O
InChIInChI=1S/C21H18F2N4O/c1-12-7-15(11-26(2)21(12)28)14-8-17(24)19-18(9-14)27(25-20(19)23)10-13-3-5-16(22)6-4-13/h3-9,11H,10,24H2,1-2H3
InChIKeyMEYRDPLSWREWPL-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.62
Rot. Bonds3

About 5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one

5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one (PubChem CID 122623577) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one
PubChem CID122623577
Molecular FormulaC21H18F2N4O
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(N)c3c(F)nn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O
InChIInChI=1S/C21H18F2N4O/c1-12-7-15(11-26(2)21(12)28)14-8-17(24)19-18(9-14)27(25-20(19)23)10-13-3-5-16(22)6-4-13/h3-9,11H,10,24H2,1-2H3
InChIKeyMEYRDPLSWREWPL-UHFFFAOYSA-N
XLogP3.62
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-{4-[1-(3-aminomethylphenyl)-7-fluoro-3-methyl-1H-indazol-6-yl]phenyl}pyrrolidin-2-one
CID 11509879
1-{4-[1-(3-aminomethylphenyl)-7-fluoro-3-methyl-1H-indazol-6-yl]phenyl}piperidin-2-one
CID 11704628
4-(4-fluorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205150
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-para-tolylpyridin-2(1H)-one
CID 25205153
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-(4-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 25205318
4-(2-fluoro-4-(trifluoromethyl)phenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206616
N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
CID 129052064
1-[(2-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
CID 129052070
1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
CID 129052116
1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
CID 140931454
5-[1-[(3,4-Difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
CID 155534784
5-[1-[(4-Fluoro-3-nitrophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
CID 155569378

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one (CID 122623577) is 5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2cc(N)c3c(F)nn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O.
What is the InChIKey of 5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is MEYRDPLSWREWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O/c1-12-7-15(11-26(2)21(12)28)14-8-17(24)19-18(9-14)27(25-20(19)23)10-13-3-5-16(22)6-4-13/h3-9,11H,10,24H2,1-2H3.
What are the key properties of 5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one?
5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 380.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-3-fluoro-1-[(4-fluorophenyl)methyl]indazol-6-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 122623577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).