4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole

C23H17F3N4O2S2 — CID 45485464

IUPAC4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(-c3cscn3)ccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C23H17F3N4O2S2/c24-23(25,26)15-4-6-16(7-5-15)34(31,32)30-20-9-14(19-11-33-12-27-19)3-8-17(20)21-18(10-28-29-21)22(30)13-1-2-13/h3-13,22H,1-2H2,(H,28,29)
InChIKeyXXTPLLFHAQMCTN-UHFFFAOYSA-N
MW502.54 g/mol
LogP5.88
Rot. Bonds4

About 4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole

4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole (PubChem CID 45485464) has the molecular formula C23H17F3N4O2S2 and a molecular weight of 502.54 g/mol. Its IUPAC name is 4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole
PubChem CID45485464
Molecular FormulaC23H17F3N4O2S2
Molecular Weight502.54 g/mol
Exact Mass502.07
IUPAC Name4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(-c3cscn3)ccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C23H17F3N4O2S2/c24-23(25,26)15-4-6-16(7-5-15)34(31,32)30-20-9-14(19-11-33-12-27-19)3-8-17(20)21-18(10-28-29-21)22(30)13-1-2-13/h3-13,22H,1-2H2,(H,28,29)
InChIKeyXXTPLLFHAQMCTN-UHFFFAOYSA-N
XLogP5.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.54
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole?
The IUPAC name of 4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole (CID 45485464) is 4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole.
What is the SMILES notation for 4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole?
The canonical SMILES for 4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(-c3cscn3)ccc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole?
The InChIKey is XXTPLLFHAQMCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2S2/c24-23(25,26)15-4-6-16(7-5-15)34(31,32)30-20-9-14(19-11-33-12-27-19)3-8-17(20)21-18(10-28-29-21)22(30)13-1-2-13/h3-13,22H,1-2H2,(H,28,29).
What are the key properties of 4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole?
4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole has a molecular weight of 502.54 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-7-yl]-1,3-thiazole is sourced from PubChem (CID 45485464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).