(6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide

C26H34F4N4O5S — CID 167145203

About (6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide

(6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide (PubChem CID 167145203) has the molecular formula C26H34F4N4O5S and a molecular weight of 590.64 g/mol. Its IUPAC name is (6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide
• PubChem CID: 167145203
• Molecular Formula: C26H34F4N4O5S
• Molecular Weight: 590.64 g/mol
• Exact Mass: 590.22
• IUPAC Name: (6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide
• SMILES: C[C@@H](n1nc(-c2cc(OCC(F)(F)F)ncc2F)c2c1C[C@H](C(=O)NC1(C)CCS(=O)(=O)CC1)CC2)C(C)(C)O
• InChI: InChI=1S/C26H34F4N4O5S/c1-15(24(2,3)36)34-20-11-16(23(35)32-25(4)7-9-40(37,38)10-8-25)5-6-17(20)22(33-34)18-12-21(31-13-19(18)27)39-14-26(28,29)30/h12-13,15-16,36H,5-11,14H2,1-4H3,(H,32,35)/t15-,16-/m1/s1
• InChIKey: RFEQONMCHRPZGP-HZPDHXFCSA-N
• XLogP: 3.55
• TPSA: 123.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.64
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?

The IUPAC name of (6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide (CID 167145203) is (6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide.

What is the SMILES notation for (6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?

The canonical SMILES for (6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide is C[C@@H](n1nc(-c2cc(OCC(F)(F)F)ncc2F)c2c1C[C@H](C(=O)NC1(C)CCS(=O)(=O)CC1)CC2)C(C)(C)O.

What is the InChIKey of (6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?

The InChIKey is RFEQONMCHRPZGP-HZPDHXFCSA-N. The full InChI is InChI=1S/C26H34F4N4O5S/c1-15(24(2,3)36)34-20-11-16(23(35)32-25(4)7-9-40(37,38)10-8-25)5-6-17(20)22(33-34)18-12-21(31-13-19(18)27)39-14-26(28,29)30/h12-13,15-16,36H,5-11,14H2,1-4H3,(H,32,35)/t15-,16-/m1/s1.

What are the key properties of (6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?

(6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide has a molecular weight of 590.64 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-3-[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide is sourced from PubChem (CID 167145203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).