4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

C24H18F3N5O2S — CID 45485491

IUPAC4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(-c3cncnc3)ccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C24H18F3N5O2S/c25-24(26,27)17-4-6-18(7-5-17)35(33,34)32-21-9-15(16-10-28-13-29-11-16)3-8-19(21)22-20(12-30-31-22)23(32)14-1-2-14/h3-14,23H,1-2H2,(H,30,31)
InChIKeyFXIRUAYLOHCEDY-UHFFFAOYSA-N
MW497.50 g/mol
LogP5.21
Rot. Bonds4

About 4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 45485491) has the molecular formula C24H18F3N5O2S and a molecular weight of 497.50 g/mol. Its IUPAC name is 4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID45485491
Molecular FormulaC24H18F3N5O2S
Molecular Weight497.50 g/mol
Exact Mass497.11
IUPAC Name4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(-c3cncnc3)ccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C24H18F3N5O2S/c25-24(26,27)17-4-6-18(7-5-17)35(33,34)32-21-9-15(16-10-28-13-29-11-16)3-8-19(21)22-20(12-30-31-22)23(32)14-1-2-14/h3-14,23H,1-2H2,(H,30,31)
InChIKeyFXIRUAYLOHCEDY-UHFFFAOYSA-N
XLogP5.21
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Elnd-007
CID 46912223
4-Cyclopropyl-7-imidazol-1-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485553
4-Cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c][1,8]naphthyridine
CID 24865251
CID 56658871
CID 56658871
3-[4-[5-Fluoro-2-[[1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-yl]amino]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 163211973
N-[4-(1-cyclobutylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine
CID 164608897
N-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine
CID 164615620
N-[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine
CID 164622570
N-[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine
CID 164623982
3-[4-[5-Methyl-2-[[1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-yl]amino]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 164626278
N-[5-methyl-4-(1-propylpyrazol-4-yl)pyrimidin-2-yl]-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-5-amine
CID 164628254
US11014929, Example 96
CID 134326753

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 45485491) is 4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(-c3cncnc3)ccc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is FXIRUAYLOHCEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2S/c25-24(26,27)17-4-6-18(7-5-17)35(33,34)32-21-9-15(16-10-28-13-29-11-16)3-8-19(21)22-20(12-30-31-22)23(32)14-1-2-14/h3-14,23H,1-2H2,(H,30,31).
What are the key properties of 4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 497.50 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 45485491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).