(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline

C42H42F2N8O4S2 — CID 160901801

IUPAC(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3[nH]ncc3[C@H]2C2CC2)cn1.Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3c(cnn3C(C)(C)C)[C@H]2C2CC2)cn1
InChIInChI=1S/C23H25FN4O2S.C19H17FN4O2S/c1-14-5-9-17(12-25-14)31(29,30)27-20-10-8-16(24)11-18(20)22-19(21(27)15-6-7-15)13-26-28(22)23(2,3)4;1-11-2-6-14(9-21-11)27(25,26)24-17-7-5-13(20)8-15(17)18-16(10-22-23-18)19(24)12-3-4-12/h5,8-13,15,21H,6-7H2,1-4H3;2,5-10,12,19H,3-4H2,1H3,(H,22,23)/t21-;19-/m11/s1
InChIKeySPPIUTYGUAANKO-BIKLSPMQSA-N
MW824.98 g/mol
LogP8.39
Rot. Bonds6

About (4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline

(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 160901801) has the molecular formula C42H42F2N8O4S2 and a molecular weight of 824.98 g/mol. Its IUPAC name is (4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID160901801
Molecular FormulaC42H42F2N8O4S2
Molecular Weight824.98 g/mol
Exact Mass824.27
IUPAC Name(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3[nH]ncc3[C@H]2C2CC2)cn1.Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3c(cnn3C(C)(C)C)[C@H]2C2CC2)cn1
InChIInChI=1S/C23H25FN4O2S.C19H17FN4O2S/c1-14-5-9-17(12-25-14)31(29,30)27-20-10-8-16(24)11-18(20)22-19(21(27)15-6-7-15)13-26-28(22)23(2,3)4;1-11-2-6-14(9-21-11)27(25,26)24-17-7-5-13(20)8-15(17)18-16(10-22-23-18)19(24)12-3-4-12/h5,8-13,15,21H,6-7H2,1-4H3;2,5-10,12,19H,3-4H2,1H3,(H,22,23)/t21-;19-/m11/s1
InChIKeySPPIUTYGUAANKO-BIKLSPMQSA-N
XLogP8.39
TPSA147.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.98
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-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

Related Compounds

Elnd-007
CID 46912223
(4R)-4-Cyclopropyl-8-fluoro-4,5-dihydro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1H-pyrazolo[4,3-c]quinoline
CID 45101437
4-Methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864527
8-Fluoro-4-methyl-5-(pyridin-3-ylsulfonyl)-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline
CID 24864524
8-Fluoro-4-methyl-5-pyridin-2-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864525
4-Cyclopropyl-7,8-difluoro-5-[5-(trifluoromethyl)pyridin-2-yl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24865248
4-Cyclopropyl-7,8-difluoro-5-[6-(trifluoromethyl)pyridin-3-yl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24865429
7,8-Difluoro-4-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24865431
4-Cyclopropyl-8-fluoro-5-[6-(trifluoromethyl)pyridin-3-yl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24865610
4-Cyclopropyl-5-[6-(trifluoromethyl)pyridin-3-yl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24865787
4-Cyclopropyl-7-(trifluoromethyl)-5-[6-(trifluoromethyl)pyridin-3-yl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24865991
4-Cyclopropyl-8-(trifluoromethyl)-5-[6-(trifluoromethyl)pyridin-3-yl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 24866172

Frequently Asked Questions

What is the IUPAC name of (4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of (4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline (CID 160901801) is (4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for (4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for (4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline is Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3[nH]ncc3[C@H]2C2CC2)cn1.Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3c(cnn3C(C)(C)C)[C@H]2C2CC2)cn1.
What is the InChIKey of (4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is SPPIUTYGUAANKO-BIKLSPMQSA-N. The full InChI is InChI=1S/C23H25FN4O2S.C19H17FN4O2S/c1-14-5-9-17(12-25-14)31(29,30)27-20-10-8-16(24)11-18(20)22-19(21(27)15-6-7-15)13-26-28(22)23(2,3)4;1-11-2-6-14(9-21-11)27(25,26)24-17-7-5-13(20)8-15(17)18-16(10-22-23-18)19(24)12-3-4-12/h5,8-13,15,21H,6-7H2,1-4H3;2,5-10,12,19H,3-4H2,1H3,(H,22,23)/t21-;19-/m11/s1.
What are the key properties of (4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline?
(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 824.98 g/mol, XLogP of 8.39, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 160901801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).