2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one

C24H15F3N6O — CID 172525479

IUPAC2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESO=c1c2nn(Cc3ccccc3)cc2c2ccc(C(F)(F)F)nc2n1-c1cccc2[nH]ncc12
InChIInChI=1S/C24H15F3N6O/c25-24(26,27)20-10-9-15-17-13-32(12-14-5-2-1-3-6-14)31-21(17)23(34)33(22(15)29-20)19-8-4-7-18-16(19)11-28-30-18/h1-11,13H,12H2,(H,28,30)
InChIKeyIFFGKTVZWDRWQA-UHFFFAOYSA-N
MW460.42 g/mol
LogP4.68
Rot. Bonds3

About 2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one

2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (PubChem CID 172525479) has the molecular formula C24H15F3N6O and a molecular weight of 460.42 g/mol. Its IUPAC name is 2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
PubChem CID172525479
Molecular FormulaC24H15F3N6O
Molecular Weight460.42 g/mol
Exact Mass460.13
IUPAC Name2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESO=c1c2nn(Cc3ccccc3)cc2c2ccc(C(F)(F)F)nc2n1-c1cccc2[nH]ncc12
InChIInChI=1S/C24H15F3N6O/c25-24(26,27)20-10-9-15-17-13-32(12-14-5-2-1-3-6-14)31-21(17)23(34)33(22(15)29-20)19-8-4-7-18-16(19)11-28-30-18/h1-11,13H,12H2,(H,28,30)
InChIKeyIFFGKTVZWDRWQA-UHFFFAOYSA-N
XLogP4.68
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525159
7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525252
5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile
CID 172525347
7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525485
1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 167150706
5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 172525530
3-[2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-5-yl]benzoic acid
CID 172525517
5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
CID 167150763
2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525402
4-benzyl-7-methyl-3,4,7,10,11-pentazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,11-tetraen-9-one
CID 154681825
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525423
5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one
CID 164562834

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (CID 172525479) is 2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is O=c1c2nn(Cc3ccccc3)cc2c2ccc(C(F)(F)F)nc2n1-c1cccc2[nH]ncc12.
What is the InChIKey of 2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The InChIKey is IFFGKTVZWDRWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O/c25-24(26,27)20-10-9-15-17-13-32(12-14-5-2-1-3-6-14)31-21(17)23(34)33(22(15)29-20)19-8-4-7-18-16(19)11-28-30-18/h1-11,13H,12H2,(H,28,30).
What are the key properties of 2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one has a molecular weight of 460.42 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172525479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).