N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide

C23H24F3N3O2 — CID 170240298

IUPACN-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc2nn(C3CCC(C)CC3)cc2cc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N3O2/c1-14-3-9-18(10-4-14)29-13-16-11-20(21(31-2)12-19(16)28-29)27-22(30)15-5-7-17(8-6-15)23(24,25)26/h5-8,11-14,18H,3-4,9-10H2,1-2H3,(H,27,30)
InChIKeySGULLOJHNLMMPD-UHFFFAOYSA-N
MW431.46 g/mol
LogP6.07
Rot. Bonds4

About N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide

N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide (PubChem CID 170240298) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide
PubChem CID170240298
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC NameN-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc2nn(C3CCC(C)CC3)cc2cc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N3O2/c1-14-3-9-18(10-4-14)29-13-16-11-20(21(31-2)12-19(16)28-29)27-22(30)15-5-7-17(8-6-15)23(24,25)26/h5-8,11-14,18H,3-4,9-10H2,1-2H3,(H,27,30)
InChIKeySGULLOJHNLMMPD-UHFFFAOYSA-N
XLogP6.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167375489
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide
CID 163400249
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]pyrimidine-4-carboxamide
CID 155448826
3-fluoro-N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 170240266
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-2-methylpyrimidine-4-carboxamide
CID 170239920
4-chloro-N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]benzamide
CID 155449238
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide
CID 155437502
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane
CID 155752222
N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 155448924
N-[6-cyclopropyloxy-2-(4-methylcyclohexyl)indazol-5-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide
CID 155448821
N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 155448913

Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide (CID 170240298) is N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide is COc1cc2nn(C3CCC(C)CC3)cc2cc1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is SGULLOJHNLMMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-14-3-9-18(10-4-14)29-13-16-11-20(21(31-2)12-19(16)28-29)27-22(30)15-5-7-17(8-6-15)23(24,25)26/h5-8,11-14,18H,3-4,9-10H2,1-2H3,(H,27,30).
What are the key properties of N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide?
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 431.46 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 170240298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).