5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one

C18H9F4N5OS — CID 172525348

IUPAC5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCn1cc2c(n1)c(=O)n(-c1cccc3ncsc13)c1nc(C(F)(F)F)c(F)cc21
InChIInChI=1S/C18H9F4N5OS/c1-26-6-9-8-5-10(19)15(18(20,21)22)24-16(8)27(17(28)13(9)25-26)12-4-2-3-11-14(12)29-7-23-11/h2-7H,1H3
InChIKeyCUDIMBNYAHEZLS-UHFFFAOYSA-N
MW419.36 g/mol
LogP4.04
Rot. Bonds1

About 5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one

5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (PubChem CID 172525348) has the molecular formula C18H9F4N5OS and a molecular weight of 419.36 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
PubChem CID172525348
Molecular FormulaC18H9F4N5OS
Molecular Weight419.36 g/mol
Exact Mass419.05
IUPAC Name5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCn1cc2c(n1)c(=O)n(-c1cccc3ncsc13)c1nc(C(F)(F)F)c(F)cc21
InChIInChI=1S/C18H9F4N5OS/c1-26-6-9-8-5-10(19)15(18(20,21)22)24-16(8)27(17(28)13(9)25-26)12-4-2-3-11-14(12)29-7-23-11/h2-7H,1H3
InChIKeyCUDIMBNYAHEZLS-UHFFFAOYSA-N
XLogP4.04
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525159
5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile
CID 172525347
7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525248
3-[2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-5-yl]benzoic acid
CID 172525517
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525423
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one
CID 172525360
1-(2-aminoethyl)-5-(2-chlorophenyl)-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 167150706
7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525525
5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 172525530
5-(2-chloro-5-fluorophenyl)-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 164562862
7-chloro-6-fluoro-4-(methylamino)-3-(2-methylindazol-5-yl)-1-(2-methyl-3-pyridinyl)-1,8-naphthyridin-2-one
CID 176913623

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (CID 172525348) is 5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is Cn1cc2c(n1)c(=O)n(-c1cccc3ncsc13)c1nc(C(F)(F)F)c(F)cc21.
What is the InChIKey of 5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The InChIKey is CUDIMBNYAHEZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F4N5OS/c1-26-6-9-8-5-10(19)15(18(20,21)22)24-16(8)27(17(28)13(9)25-26)12-4-2-3-11-14(12)29-7-23-11/h2-7H,1H3.
What are the key properties of 5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one has a molecular weight of 419.36 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172525348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).