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

C110H126F14N16O12 — CID 157239437

About cis-(1S,3R)-N-[4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[3-[(2S)-1,1-difluoro-2-hydroxypropan-2-yl]-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[3-[(2S)-1,1-difluoro-2-hydroxypropan-2-yl]-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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 157239437) has the molecular formula C110H126F14N16O12 and a molecular weight of 2130.29 g/mol. Its IUPAC name is cis-(1S,3R)-N-[4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[3-[(2S)-1,1-difluoro-2-hydroxypropan-2-yl]-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[3-[(2S)-1,1-difluoro-2-hydroxypropan-2-yl]-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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: 157239437
• Molecular Formula: C110H126F14N16O12
• Molecular Weight: 2130.29 g/mol
• Exact Mass: 2128.95
• IUPAC Name: cis-(1S,3R)-N-[4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[3-[(2S)-1,1-difluoro-2-hydroxypropan-2-yl]-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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: CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)(O)C(F)F)c4c3)c(C)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c([C@](C)(O)C(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/2C28H32F4N4O3.2C27H31F3N4O3/c2*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;2*1-14-13-31-22(32-25(36)17-7-5-6-16(9-17)8-15(2)35)12-19(14)18-10-20-23(21(28)11-18)33-34(4)24(20)27(3,37)26(29)30/h2*11-14,16-17,39H,5-10H2,1-4H3,(H,33,34,38);2*10-13,16-17,26,37H,5-9H2,1-4H3,(H,31,32,36)/t16-,17+,27+;16-,17+,27-;16-,17-,27?;16-,17-,27-/m1100/s1
• InChIKey: AVALFMKHBZMKRF-KAGASNQCSA-N
• XLogP: 22.49
• TPSA: 388.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2130.29
LogP ≤ 5	22.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[3-[(2S)-1,1-difluoro-2-hydroxypropan-2-yl]-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[3-[(2S)-1,1-difluoro-2-hydroxypropan-2-yl]-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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 157239437) is cis-(1S,3R)-N-[4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[3-[(2S)-1,1-difluoro-2-hydroxypropan-2-yl]-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[3-[(2S)-1,1-difluoro-2-hydroxypropan-2-yl]-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[3-[(2S)-1,1-difluoro-2-hydroxypropan-2-yl]-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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 CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)(O)C(F)F)c4c3)c(C)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c([C@](C)(O)C(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-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[3-[(2S)-1,1-difluoro-2-hydroxypropan-2-yl]-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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 AVALFMKHBZMKRF-KAGASNQCSA-N. The full InChI is InChI=1S/2C28H32F4N4O3.2C27H31F3N4O3/c2*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;2*1-14-13-31-22(32-25(36)17-7-5-6-16(9-17)8-15(2)35)12-19(14)18-10-20-23(21(28)11-18)33-34(4)24(20)27(3,37)26(29)30/h2*11-14,16-17,39H,5-10H2,1-4H3,(H,33,34,38);2*10-13,16-17,26,37H,5-9H2,1-4H3,(H,31,32,36)/t16-,17+,27+;16-,17+,27-;16-,17-,27?;16-,17-,27-/m1100/s1.

What are the key properties of cis-(1S,3R)-N-[4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[3-[(2S)-1,1-difluoro-2-hydroxypropan-2-yl]-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[3-[(2S)-1,1-difluoro-2-hydroxypropan-2-yl]-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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 2130.29 g/mol, XLogP of 22.49, 28 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-N-[4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[3-[(2S)-1,1-difluoro-2-hydroxypropan-2-yl]-7-fluoro-2-methylindazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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 157239437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).