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

C107H117Cl2F15N16O12 — CID 158875453

IUPACcis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide
SMILESCC(=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.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)(O)C(F)(F)F)c4c3)c(Cl)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(Cl)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
InChIInChI=1S/C28H32F4N4O3.C27H30F4N4O3.C26H27ClF4N4O3.C26H28ClF3N4O3/c1-5-19(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;1-14-13-32-22(33-25(37)17-7-5-6-16(9-17)8-15(2)36)12-19(14)18-10-20-23(21(28)11-18)34-35(4)24(20)26(3,38)27(29,30)31;1-13(36)7-14-5-4-6-15(8-14)24(37)33-21-11-17(19(27)12-32-21)16-9-18-22(20(28)10-16)34-35(3)23(18)25(2,38)26(29,30)31;1-13(35)7-14-5-4-6-15(8-14)24(36)32-21-11-17(19(27)12-31-21)16-9-18-22(20(28)10-16)33-34(3)23(18)26(2,37)25(29)30/h11-14,16-17,39H,5-10H2,1-4H3,(H,33,34,38);10-13,16-17,38H,5-9H2,1-4H3,(H,32,33,37);9-12,14-15,38H,4-8H2,1-3H3,(H,32,33,37);9-12,14-15,25,37H,4-8H2,1-3H3,(H,31,32,36)/t16-,17+,27?;16-,17-,26?;14-,15-,25?;14-,15-,26?/m1000/s1
InChIKeyJCJJFLDOPBFWSB-ZHPZHZCXSA-N
MW2175.09 g/mol
LogP23.09
Rot. Bonds26

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

cis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide (PubChem CID 158875453) has the molecular formula C107H117Cl2F15N16O12 and a molecular weight of 2175.09 g/mol. Its IUPAC name is cis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide
PubChem CID158875453
Molecular FormulaC107H117Cl2F15N16O12
Molecular Weight2175.09 g/mol
Exact Mass2172.82
IUPAC Namecis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide
SMILESCC(=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.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)(O)C(F)(F)F)c4c3)c(Cl)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(Cl)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
InChIInChI=1S/C28H32F4N4O3.C27H30F4N4O3.C26H27ClF4N4O3.C26H28ClF3N4O3/c1-5-19(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;1-14-13-32-22(33-25(37)17-7-5-6-16(9-17)8-15(2)36)12-19(14)18-10-20-23(21(28)11-18)34-35(4)24(20)26(3,38)27(29,30)31;1-13(36)7-14-5-4-6-15(8-14)24(37)33-21-11-17(19(27)12-32-21)16-9-18-22(20(28)10-16)34-35(3)23(18)25(2,38)26(29,30)31;1-13(35)7-14-5-4-6-15(8-14)24(36)32-21-11-17(19(27)12-31-21)16-9-18-22(20(28)10-16)33-34(3)23(18)26(2,37)25(29)30/h11-14,16-17,39H,5-10H2,1-4H3,(H,33,34,38);10-13,16-17,38H,5-9H2,1-4H3,(H,32,33,37);9-12,14-15,38H,4-8H2,1-3H3,(H,32,33,37);9-12,14-15,25,37H,4-8H2,1-3H3,(H,31,32,36)/t16-,17+,27?;16-,17-,26?;14-,15-,25?;14-,15-,26?/m1000/s1
InChIKeyJCJJFLDOPBFWSB-ZHPZHZCXSA-N
XLogP23.09
TPSA388.44 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002175.09
LogP ≤ 523.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

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

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Launch Full Analysis

Related Compounds

US11673893, Example 53
CID 156136487
US11673893, Example 74
CID 156136570
US11673893, Example 75
CID 156136562
cis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-[(2-cyanoacetyl)amino]cyclohexane-1-carboxamide
CID 156136559
N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-[(2-cyanoacetyl)amino]cyclohexane-1-carboxamide
CID 156630235
cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(3-cyano-2-oxopropyl)cyclohexane-1-carboxamide
CID 157229510
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
cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide
CID 158875455
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-oxopropyl)cyclohexane-1-carboxamide
CID 158875456
cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide
CID 158971754
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
cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide
CID 167677588

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide (CID 158875453) is cis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)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)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)F)c4c3)c(Cl)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(Cl)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-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide?
The InChIKey is JCJJFLDOPBFWSB-ZHPZHZCXSA-N. The full InChI is InChI=1S/C28H32F4N4O3.C27H30F4N4O3.C26H27ClF4N4O3.C26H28ClF3N4O3/c1-5-19(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;1-14-13-32-22(33-25(37)17-7-5-6-16(9-17)8-15(2)36)12-19(14)18-10-20-23(21(28)11-18)34-35(4)24(20)26(3,38)27(29,30)31;1-13(36)7-14-5-4-6-15(8-14)24(37)33-21-11-17(19(27)12-32-21)16-9-18-22(20(28)10-16)34-35(3)23(18)25(2,38)26(29,30)31;1-13(35)7-14-5-4-6-15(8-14)24(36)32-21-11-17(19(27)12-31-21)16-9-18-22(20(28)10-16)33-34(3)23(18)26(2,37)25(29)30/h11-14,16-17,39H,5-10H2,1-4H3,(H,33,34,38);10-13,16-17,38H,5-9H2,1-4H3,(H,32,33,37);9-12,14-15,38H,4-8H2,1-3H3,(H,32,33,37);9-12,14-15,25,37H,4-8H2,1-3H3,(H,31,32,36)/t16-,17+,27?;16-,17-,26?;14-,15-,25?;14-,15-,26?/m1000/s1.
What are the key properties of cis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide?
cis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide has a molecular weight of 2175.09 g/mol, XLogP of 23.09, 26 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-7-fluoro-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 158875453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).