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

C18H10F4N6O — CID 172525159

IUPAC8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILES[2H]C([2H])([2H])n1cc2c(n1)c(=O)n(-c1cccc3[nH]ncc13)c1nc(C(F)(F)F)c(F)cc21
InChIInChI=1S/C18H10F4N6O/c1-27-7-10-8-5-11(19)15(18(20,21)22)24-16(8)28(17(29)14(10)26-27)13-4-2-3-12-9(13)6-23-25-12/h2-7H,1H3,(H,23,25)/i1D3
InChIKeyMICUIUNQOPBJPF-FIBGUPNXSA-N
MW405.33 g/mol
LogP3.31
Rot. Bonds2

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

8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (PubChem CID 172525159) has the molecular formula C18H10F4N6O and a molecular weight of 405.33 g/mol. Its IUPAC name is 8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
PubChem CID172525159
Molecular FormulaC18H10F4N6O
Molecular Weight405.33 g/mol
Exact Mass405.10
IUPAC Name8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILES[2H]C([2H])([2H])n1cc2c(n1)c(=O)n(-c1cccc3[nH]ncc13)c1nc(C(F)(F)F)c(F)cc21
InChIInChI=1S/C18H10F4N6O/c1-27-7-10-8-5-11(19)15(18(20,21)22)24-16(8)28(17(29)14(10)26-27)13-4-2-3-12-9(13)6-23-25-12/h2-7H,1H3,(H,23,25)/i1D3
InChIKeyMICUIUNQOPBJPF-FIBGUPNXSA-N
XLogP3.31
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1H-indazol-4-yl)-2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridine-8-carbonitrile
CID 172525347
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
5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525348
2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525479
7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525248
7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525485
7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525252
7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525481
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
6-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 162653254
5-isoquinolin-8-yl-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 172525530

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (CID 172525159) is 8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is [2H]C([2H])([2H])n1cc2c(n1)c(=O)n(-c1cccc3[nH]ncc13)c1nc(C(F)(F)F)c(F)cc21.
What is the InChIKey of 8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The InChIKey is MICUIUNQOPBJPF-FIBGUPNXSA-N. The full InChI is InChI=1S/C18H10F4N6O/c1-27-7-10-8-5-11(19)15(18(20,21)22)24-16(8)28(17(29)14(10)26-27)13-4-2-3-12-9(13)6-23-25-12/h2-7H,1H3,(H,23,25)/i1D3.
What are the key properties of 8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one has a molecular weight of 405.33 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172525159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).