methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate

C21H19F3N4O4 — CID 154970408

IUPACmethyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OC)cc3n2)C1
InChIInChI=1S/C21H19F3N4O4/c1-31-17-9-15-12(10-28(27-15)13-6-11(7-13)20(30)32-2)8-16(17)26-19(29)14-4-3-5-18(25-14)21(22,23)24/h3-5,8-11,13H,6-7H2,1-2H3,(H,26,29)
InChIKeyMXPQJSUAADWUOC-UHFFFAOYSA-N
MW448.40 g/mol
LogP3.84
Rot. Bonds5

About methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate

methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate (PubChem CID 154970408) has the molecular formula C21H19F3N4O4 and a molecular weight of 448.40 g/mol. Its IUPAC name is methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
PubChem CID154970408
Molecular FormulaC21H19F3N4O4
Molecular Weight448.40 g/mol
Exact Mass448.14
IUPAC Namemethyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OC)cc3n2)C1
InChIInChI=1S/C21H19F3N4O4/c1-31-17-9-15-12(10-28(27-15)13-6-11(7-13)20(30)32-2)8-16(17)26-19(29)14-4-3-5-18(25-14)21(22,23)24/h3-5,8-11,13H,6-7H2,1-2H3,(H,26,29)
InChIKeyMXPQJSUAADWUOC-UHFFFAOYSA-N
XLogP3.84
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate with MolForge

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Related Compounds

N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046
N-[2-[4-[(dimethylamino)methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163814713
dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide
CID 164986879
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 165063639
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;methanol
CID 155751757
N-[6-(2-methoxyethoxy)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163769872
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448588
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
N-[2-(2-iodoethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164568000
N-[2-(2-hydroxyethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 129283862

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate (CID 154970408) is methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate is COC(=O)C1CC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OC)cc3n2)C1.
What is the InChIKey of methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate?
The InChIKey is MXPQJSUAADWUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O4/c1-31-17-9-15-12(10-28(27-15)13-6-11(7-13)20(30)32-2)8-16(17)26-19(29)14-4-3-5-18(25-14)21(22,23)24/h3-5,8-11,13H,6-7H2,1-2H3,(H,26,29).
What are the key properties of methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate?
methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate has a molecular weight of 448.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate is sourced from PubChem (CID 154970408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).