5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile

C19H10F3N7O — CID 172525347

IUPAC5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile
SMILESCn1cc2c(n1)c(=O)n(-c1cccc3[nH]ncc13)c1nc(C(F)(F)F)c(C#N)cc21
InChIInChI=1S/C19H10F3N7O/c1-28-8-12-10-5-9(6-23)16(19(20,21)22)25-17(10)29(18(30)15(12)27-28)14-4-2-3-13-11(14)7-24-26-13/h2-5,7-8H,1H3,(H,24,26)
InChIKeyOUHXFBATHXUQNI-UHFFFAOYSA-N
MW409.33 g/mol
LogP3.04
Rot. Bonds1

About 5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile

5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile (PubChem CID 172525347) has the molecular formula C19H10F3N7O and a molecular weight of 409.33 g/mol. Its IUPAC name is 5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile.

Molecular Properties

Compound Name5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile
PubChem CID172525347
Molecular FormulaC19H10F3N7O
Molecular Weight409.33 g/mol
Exact Mass409.09
IUPAC Name5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile
SMILESCn1cc2c(n1)c(=O)n(-c1cccc3[nH]ncc13)c1nc(C(F)(F)F)c(C#N)cc21
InChIInChI=1S/C19H10F3N7O/c1-28-8-12-10-5-9(6-23)16(19(20,21)22)25-17(10)29(18(30)15(12)27-28)14-4-2-3-13-11(14)7-24-26-13/h2-5,7-8H,1H3,(H,24,26)
InChIKeyOUHXFBATHXUQNI-UHFFFAOYSA-N
XLogP3.04
TPSA105.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525485
8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525346
2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525479
7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525252
5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525348
7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525481
7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525129
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525423
2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525402
5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 172525530
4-chloro-1H-indazole-5-carbonitrile
CID 53399359

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile?
The IUPAC name of 5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile (CID 172525347) is 5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile.
What is the SMILES notation for 5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile?
The canonical SMILES for 5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile is Cn1cc2c(n1)c(=O)n(-c1cccc3[nH]ncc13)c1nc(C(F)(F)F)c(C#N)cc21.
What is the InChIKey of 5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile?
The InChIKey is OUHXFBATHXUQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F3N7O/c1-28-8-12-10-5-9(6-23)16(19(20,21)22)25-17(10)29(18(30)15(12)27-28)14-4-2-3-13-11(14)7-24-26-13/h2-5,7-8H,1H3,(H,24,26).
What are the key properties of 5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile?
5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile has a molecular weight of 409.33 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile is sourced from PubChem (CID 172525347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).