cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide

C84H96F12N12O9 — CID 159534546

About cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide

cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide (PubChem CID 159534546) has the molecular formula C84H96F12N12O9 and a molecular weight of 1645.74 g/mol. Its IUPAC name is cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide
• PubChem CID: 159534546
• Molecular Formula: C84H96F12N12O9
• Molecular Weight: 1645.74 g/mol
• Exact Mass: 1644.72
• IUPAC Name: cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide
• SMILES: CCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)(O)C(F)(F)F)c4c3)c(C)cn2)C1.CCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c([C@@](C)(O)C(F)(F)F)c4c3)c(C)cn2)C1.CCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c([C@](C)(O)C(F)(F)F)c4c3)c(C)cn2)C1
• InChI: InChI=1S/3C28H32F4N4O3/c3*1-5-19(37)10-16-7-6-8-17(9-16)26(38)34-23-13-20(15(2)14-33-23)18-11-21-24(22(29)12-18)35-36(4)25(21)27(3,39)28(30,31)32/h3*11-14,16-17,39H,5-10H2,1-4H3,(H,33,34,38)/t16-,17+,27?;16-,17+,27+;16-,17+,27-/m111/s1
• InChIKey: MDKRCCHGMNMHLQ-BWYUSRTDSA-N
• XLogP: 17.90
• TPSA: 291.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1645.74
LogP ≤ 5	17.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide?

The IUPAC name of cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide (CID 159534546) is cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide.

What is the SMILES notation for cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide?

The canonical SMILES for cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide is CCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)(O)C(F)(F)F)c4c3)c(C)cn2)C1.CCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c([C@@](C)(O)C(F)(F)F)c4c3)c(C)cn2)C1.CCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c([C@](C)(O)C(F)(F)F)c4c3)c(C)cn2)C1.

What is the InChIKey of cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide?

The InChIKey is MDKRCCHGMNMHLQ-BWYUSRTDSA-N. The full InChI is InChI=1S/3C28H32F4N4O3/c3*1-5-19(37)10-16-7-6-8-17(9-16)26(38)34-23-13-20(15(2)14-33-23)18-11-21-24(22(29)12-18)35-36(4)25(21)27(3,39)28(30,31)32/h3*11-14,16-17,39H,5-10H2,1-4H3,(H,33,34,38)/t16-,17+,27?;16-,17+,27+;16-,17+,27-/m111/s1.

What are the key properties of cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide?

cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide has a molecular weight of 1645.74 g/mol, XLogP of 17.90, 21 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 159534546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).