6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline

C21H19F2N5O2S — CID 166039477

IUPAC6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline
SMILESCc1c(-c2cc(F)cc3c2cnn3S(C)(=O)=O)cc(F)c2c1-c1[nH]ncc1C(C)(C)N2
InChIInChI=1S/C21H19F2N5O2S/c1-10-12(13-5-11(22)6-17-14(13)8-25-28(17)31(4,29)30)7-16(23)20-18(10)19-15(9-24-27-19)21(2,3)26-20/h5-9,26H,1-4H3,(H,24,27)
InChIKeyKCMNYPXXZVUVNM-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.15
Rot. Bonds2

About 6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline

6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline (PubChem CID 166039477) has the molecular formula C21H19F2N5O2S and a molecular weight of 443.48 g/mol. Its IUPAC name is 6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline
PubChem CID166039477
Molecular FormulaC21H19F2N5O2S
Molecular Weight443.48 g/mol
Exact Mass443.12
IUPAC Name6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline
SMILESCc1c(-c2cc(F)cc3c2cnn3S(C)(=O)=O)cc(F)c2c1-c1[nH]ncc1C(C)(C)N2
InChIInChI=1S/C21H19F2N5O2S/c1-10-12(13-5-11(22)6-17-14(13)8-25-28(17)31(4,29)30)7-16(23)20-18(10)19-15(9-24-27-19)21(2,3)26-20/h5-9,26H,1-4H3,(H,24,27)
InChIKeyKCMNYPXXZVUVNM-UHFFFAOYSA-N
XLogP4.15
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline (CID 166039477) is 6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline is Cc1c(-c2cc(F)cc3c2cnn3S(C)(=O)=O)cc(F)c2c1-c1[nH]ncc1C(C)(C)N2.
What is the InChIKey of 6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is KCMNYPXXZVUVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2S/c1-10-12(13-5-11(22)6-17-14(13)8-25-28(17)31(4,29)30)7-16(23)20-18(10)19-15(9-24-27-19)21(2,3)26-20/h5-9,26H,1-4H3,(H,24,27).
What are the key properties of 6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline?
6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 443.48 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-(6-fluoro-1-methylsulfonylindazol-4-yl)-4,4,9-trimethyl-1,5-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 166039477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).