(4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

C16H13FN4O2S — CID 141299926

IUPAC(4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESC[C@@H]1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1cccnc1
InChIInChI=1S/C16H13FN4O2S/c1-10-14-9-19-20-16(14)13-7-11(17)4-5-15(13)21(10)24(22,23)12-3-2-6-18-8-12/h2-10H,1H3,(H,19,20)/t10-/m1/s1
InChIKeyFNDBCIBPVBWTNP-SNVBAGLBSA-N
MW344.37 g/mol
LogP2.88
Rot. Bonds2

About (4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

(4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 141299926) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is (4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name(4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID141299926
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name(4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESC[C@@H]1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1cccnc1
InChIInChI=1S/C16H13FN4O2S/c1-10-14-9-19-20-16(14)13-7-11(17)4-5-15(13)21(10)24(22,23)12-3-2-6-18-8-12/h2-10H,1H3,(H,19,20)/t10-/m1/s1
InChIKeyFNDBCIBPVBWTNP-SNVBAGLBSA-N
XLogP2.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of (4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 141299926) is (4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for (4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for (4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is C[C@@H]1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1cccnc1.
What is the InChIKey of (4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is FNDBCIBPVBWTNP-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c1-10-14-9-19-20-16(14)13-7-11(17)4-5-15(13)21(10)24(22,23)12-3-2-6-18-8-12/h2-10H,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of (4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
(4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 344.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 141299926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).