N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C86H87BrF13N15O6S3 — CID 160826445

About N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 160826445) has the molecular formula C86H87BrF13N15O6S3 and a molecular weight of 1849.82 g/mol. Its IUPAC name is N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
• PubChem CID: 160826445
• Molecular Formula: C86H87BrF13N15O6S3
• Molecular Weight: 1849.82 g/mol
• Exact Mass: 1847.51
• IUPAC Name: N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
• SMILES: CC(C)(C)n1ncc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C2CC2)c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C2CC2)c1-c1cccc(F)c1.CC(C)(C)n1ncc2c(C3CC3)nc3ccc(F)cc3c21.CC(C)(C)n1ncc2c1-c1cc(F)ccc1N(S(=O)(=O)c1ccc(C(F)(F)F)nc1)[C@@H]2C1CC1
• InChI: InChI=1S/C23H23BrF4N4O2S.C23H22F4N4O2S.C23H24F4N4O2S.C17H18FN3/c1-22(2,3)32-21(16-10-14(25)6-8-18(16)24)17(12-30-32)20(13-4-5-13)31-35(33,34)15-7-9-19(29-11-15)23(26,27)28;1-22(2,3)31-21-16-10-14(24)6-8-18(16)30(20(13-4-5-13)17(21)12-29-31)34(32,33)15-7-9-19(28-11-15)23(25,26)27;1-22(2,3)31-21(15-5-4-6-16(24)11-15)18(13-29-31)20(14-7-8-14)30-34(32,33)17-9-10-19(28-12-17)23(25,26)27;1-17(2,3)21-16-12-8-11(18)6-7-14(12)20-15(10-4-5-10)13(16)9-19-21/h6-13,20,31H,4-5H2,1-3H3;6-13,20H,4-5H2,1-3H3;4-6,9-14,20,30H,7-8H2,1-3H3;6-10H,4-5H2,1-3H3/t3*20-;/m111./s1
• InChIKey: SGFUPSFPZQXCBW-QBTDIBSLSA-N
• XLogP: 21.21
• TPSA: 252.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1849.82
LogP ≤ 5	21.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?

The IUPAC name of N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 160826445) is N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

What is the SMILES notation for N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?

The canonical SMILES for N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is CC(C)(C)n1ncc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C2CC2)c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C2CC2)c1-c1cccc(F)c1.CC(C)(C)n1ncc2c(C3CC3)nc3ccc(F)cc3c21.CC(C)(C)n1ncc2c1-c1cc(F)ccc1N(S(=O)(=O)c1ccc(C(F)(F)F)nc1)[C@@H]2C1CC1.

What is the InChIKey of N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?

The InChIKey is SGFUPSFPZQXCBW-QBTDIBSLSA-N. The full InChI is InChI=1S/C23H23BrF4N4O2S.C23H22F4N4O2S.C23H24F4N4O2S.C17H18FN3/c1-22(2,3)32-21(16-10-14(25)6-8-18(16)24)17(12-30-32)20(13-4-5-13)31-35(33,34)15-7-9-19(29-11-15)23(26,27)28;1-22(2,3)31-21-16-10-14(24)6-8-18(16)30(20(13-4-5-13)17(21)12-29-31)34(32,33)15-7-9-19(28-11-15)23(25,26)27;1-22(2,3)31-21(15-5-4-6-16(24)11-15)18(13-29-31)20(14-7-8-14)30-34(32,33)17-9-10-19(28-12-17)23(25,26)27;1-17(2,3)21-16-12-8-11(18)6-7-14(12)20-15(10-4-5-10)13(16)9-19-21/h6-13,20,31H,4-5H2,1-3H3;6-13,20H,4-5H2,1-3H3;4-6,9-14,20,30H,7-8H2,1-3H3;6-10H,4-5H2,1-3H3/t3*20-;/m111./s1.

What are the key properties of N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?

N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 1849.82 g/mol, XLogP of 21.21, 16 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 160826445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).