N-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C23H27F3N4O2S — CID 155751855

IUPACN-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc2nn(C3CCC(C)(C(C)C)CC3)cc2cc1NC(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C23H27F3N4O2S/c1-13(2)22(3)7-5-15(6-8-22)30-11-14-9-17(19(32-4)10-16(14)29-30)27-20(31)18-12-33-21(28-18)23(24,25)26/h9-13,15H,5-8H2,1-4H3,(H,27,31)
InChIKeyIXXRRMICEXWVGG-UHFFFAOYSA-N
MW480.56 g/mol
LogP6.55
Rot. Bonds5

About N-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 155751855) has the molecular formula C23H27F3N4O2S and a molecular weight of 480.56 g/mol. Its IUPAC name is N-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID155751855
Molecular FormulaC23H27F3N4O2S
Molecular Weight480.56 g/mol
Exact Mass480.18
IUPAC NameN-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc2nn(C3CCC(C)(C(C)C)CC3)cc2cc1NC(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C23H27F3N4O2S/c1-13(2)22(3)7-5-15(6-8-22)30-11-14-9-17(19(32-4)10-16(14)29-30)27-20(31)18-12-33-21(28-18)23(24,25)26/h9-13,15H,5-8H2,1-4H3,(H,27,31)
InChIKeyIXXRRMICEXWVGG-UHFFFAOYSA-N
XLogP6.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

US9951086, Example 19
CID 118172810
US10435396, Example 12
CID 137377405
US10435396, Example 47
CID 137522929
US9951086, Example 14
CID 118182627
US9951086, Example 228
CID 118173003
US10435396, Example 25
CID 137377558
N-[6-methoxy-2-[2-(phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167268180
N-[6-methoxy-2-[2-(pyridin-2-ylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167268196
N-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167268213
N-[2-[2-[(4-fluorophenyl)sulfonimidoyl]ethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167268990
3-[[4-[[2-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]carbamoyl]-1,3-thiazol-2-yl]amino]azetidine-1-carboxylic acid
CID 122637045
3-[[4-[[2-[2-[2-(Methylamino)ethylamino]-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]carbamoyl]-1,3-thiazol-2-yl]amino]azetidine-1-carboxylic acid
CID 123754046

Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 155751855) is N-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is COc1cc2nn(C3CCC(C)(C(C)C)CC3)cc2cc1NC(=O)c1csc(C(F)(F)F)n1.
What is the InChIKey of N-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IXXRRMICEXWVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2S/c1-13(2)22(3)7-5-15(6-8-22)30-11-14-9-17(19(32-4)10-16(14)29-30)27-20(31)18-12-33-21(28-18)23(24,25)26/h9-13,15H,5-8H2,1-4H3,(H,27,31).
What are the key properties of N-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 480.56 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-(4-methyl-4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155751855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).