N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide

C20H21F3N4O3S — CID 155437771

IUPACN-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
SMILESCOc1cc2nn(C3CCC(CO)CC3)cc2cc1NC(=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C20H21F3N4O3S/c1-30-16-7-14-12(8-27(26-14)13-4-2-11(9-28)3-5-13)6-15(16)24-18(29)19-25-17(10-31-19)20(21,22)23/h6-8,10-11,13,28H,2-5,9H2,1H3,(H,24,29)
InChIKeyKQSAPEBHIFCZIN-UHFFFAOYSA-N
MW454.47 g/mol
LogP4.50
Rot. Bonds5

About N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide

N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide (PubChem CID 155437771) has the molecular formula C20H21F3N4O3S and a molecular weight of 454.47 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
PubChem CID155437771
Molecular FormulaC20H21F3N4O3S
Molecular Weight454.47 g/mol
Exact Mass454.13
IUPAC NameN-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
SMILESCOc1cc2nn(C3CCC(CO)CC3)cc2cc1NC(=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C20H21F3N4O3S/c1-30-16-7-14-12(8-27(26-14)13-4-2-11(9-28)3-5-13)6-15(16)24-18(29)19-25-17(10-31-19)20(21,22)23/h6-8,10-11,13,28H,2-5,9H2,1H3,(H,24,29)
InChIKeyKQSAPEBHIFCZIN-UHFFFAOYSA-N
XLogP4.50
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438184
N-[2-[4-[(dimethylamino)methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163814713
N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 155448924
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane
CID 155752222
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide
CID 170240298
N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046
N-[2-(4-ethylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155448816
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide
CID 163400249
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 155437486
[4-(5-amino-6-methoxyindazol-2-yl)cyclohexyl]methanol
CID 155437469

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide (CID 155437771) is N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide is COc1cc2nn(C3CCC(CO)CC3)cc2cc1NC(=O)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is KQSAPEBHIFCZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3S/c1-30-16-7-14-12(8-27(26-14)13-4-2-11(9-28)3-5-13)6-15(16)24-18(29)19-25-17(10-31-19)20(21,22)23/h6-8,10-11,13,28H,2-5,9H2,1H3,(H,24,29).
What are the key properties of N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 454.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 155437771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).