bis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C65H65F9N12O9 — CID 164969176

IUPACbis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(=O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(C3CCC(C)(O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(C3CCC(C)(O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/2C22H23F3N4O3.C21H19F3N4O3/c2*1-21(31)8-6-14(7-9-21)29-12-13-10-17(18(32-2)11-16(13)28-29)27-20(30)15-4-3-5-19(26-15)22(23,24)25;1-31-18-10-16-12(11-28(27-16)13-5-7-14(29)8-6-13)9-17(18)26-20(30)15-3-2-4-19(25-15)21(22,23)24/h2*3-5,10-12,14,31H,6-9H2,1-2H3,(H,27,30);2-4,9-11,13H,5-8H2,1H3,(H,26,30)
InChIKeyCWSWJIJMBPDHCK-UHFFFAOYSA-N
MW1329.29 g/mol
LogP13.55
Rot. Bonds12

About bis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

bis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164969176) has the molecular formula C65H65F9N12O9 and a molecular weight of 1329.29 g/mol. Its IUPAC name is bis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Namebis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID164969176
Molecular FormulaC65H65F9N12O9
Molecular Weight1329.29 g/mol
Exact Mass1328.49
IUPAC Namebis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(=O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(C3CCC(C)(O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(C3CCC(C)(O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/2C22H23F3N4O3.C21H19F3N4O3/c2*1-21(31)8-6-14(7-9-21)29-12-13-10-17(18(32-2)11-16(13)28-29)27-20(30)15-4-3-5-19(26-15)22(23,24)25;1-31-18-10-16-12(11-28(27-16)13-5-7-14(29)8-6-13)9-17(18)26-20(30)15-3-2-4-19(25-15)21(22,23)24/h2*3-5,10-12,14,31H,6-9H2,1-2H3,(H,27,30);2-4,9-11,13H,5-8H2,1H3,(H,26,30)
InChIKeyCWSWJIJMBPDHCK-UHFFFAOYSA-N
XLogP13.55
TPSA264.65 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001329.29
LogP ≤ 513.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze bis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

US9951086, Example 68
CID 118173098
US9951086, Example 220
CID 118172527
US9951086, Example 69
CID 118172658
US9951086, Example 221
CID 118172833
US9951086, Example 12
CID 118172938
US9951086, Example 248
CID 118172992
US9951086, Example 65
CID 118173075
US9951086, Example 64
CID 118173110
US9951086, Example 255
CID 118173137
US9951086, Example 71
CID 122637001
US9951086, Example 257
CID 122637024
N-[2-[1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 138620530

Frequently Asked Questions

What is the IUPAC name of bis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of bis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 164969176) is bis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for bis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for bis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(C3CCC(=O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(C3CCC(C)(O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.COc1cc2nn(C3CCC(C)(O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of bis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CWSWJIJMBPDHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23F3N4O3.C21H19F3N4O3/c2*1-21(31)8-6-14(7-9-21)29-12-13-10-17(18(32-2)11-16(13)28-29)27-20(30)15-4-3-5-19(26-15)22(23,24)25;1-31-18-10-16-12(11-28(27-16)13-5-7-14(29)8-6-13)9-17(18)26-20(30)15-3-2-4-19(25-15)21(22,23)24/h2*3-5,10-12,14,31H,6-9H2,1-2H3,(H,27,30);2-4,9-11,13H,5-8H2,1H3,(H,26,30).
What are the key properties of bis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
bis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 1329.29 g/mol, XLogP of 13.55, 12 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide);N-[6-methoxy-2-(4-oxocyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164969176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).