5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one

C21H18F2N4O — CID 155534784

IUPAC5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
SMILESCNc1cc(-c2ccc3cnn(Cc4ccc(F)c(F)c4)c3c2)cn(C)c1=O
InChIInChI=1S/C21H18F2N4O/c1-24-19-8-16(12-26(2)21(19)28)14-4-5-15-10-25-27(20(15)9-14)11-13-3-6-17(22)18(23)7-13/h3-10,12,24H,11H2,1-2H3
InChIKeyFTMYVTFONZADMN-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.77
Rot. Bonds4

About 5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one

5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one (PubChem CID 155534784) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
PubChem CID155534784
Molecular FormulaC21H18F2N4O
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
SMILESCNc1cc(-c2ccc3cnn(Cc4ccc(F)c(F)c4)c3c2)cn(C)c1=O
InChIInChI=1S/C21H18F2N4O/c1-24-19-8-16(12-26(2)21(19)28)14-4-5-15-10-25-27(20(15)9-14)11-13-3-6-17(22)18(23)7-13/h3-10,12,24H,11H2,1-2H3
InChIKeyFTMYVTFONZADMN-UHFFFAOYSA-N
XLogP3.77
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-Fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone
CID 56837421
2-(1H-indazol-1-yl)-N-mesitylacetamide
CID 20885360
2-(1H-indazol-1-yl)-N-(4-isopropylphenyl)acetamide
CID 20885372
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
4-(naphthalen-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205317
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-(4-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 25205318
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-ortho-tolylpyridin-2(1H)-one
CID 25205493
4-(2-fluoro-4-(trifluoromethyl)phenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206616
6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one
CID 91668213
N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide
CID 118959880
N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
CID 129052064

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
The IUPAC name of 5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one (CID 155534784) is 5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
The canonical SMILES for 5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one is CNc1cc(-c2ccc3cnn(Cc4ccc(F)c(F)c4)c3c2)cn(C)c1=O.
What is the InChIKey of 5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
The InChIKey is FTMYVTFONZADMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O/c1-24-19-8-16(12-26(2)21(19)28)14-4-5-15-10-25-27(20(15)9-14)11-13-3-6-17(22)18(23)7-13/h3-10,12,24H,11H2,1-2H3.
What are the key properties of 5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one?
5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one has a molecular weight of 380.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,4-difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 155534784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).