N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane

C23H28F3N5O2 — CID 155752222

IUPACN-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane
SMILESCCC.COc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C20H20F3N5O2.C3H8/c1-30-17-10-15-12(11-28(27-15)13-5-3-2-4-6-13)9-16(17)24-19(29)14-7-8-18(26-25-14)20(21,22)23;1-3-2/h7-11,13H,2-6H2,1H3,(H,24,29);3H2,1-2H3
InChIKeyMUAIMTMNGOTLQJ-UHFFFAOYSA-N
MW463.50 g/mol
LogP6.03
Rot. Bonds4

About N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane

N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane (PubChem CID 155752222) has the molecular formula C23H28F3N5O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane.

Molecular Properties

Compound NameN-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane
PubChem CID155752222
Molecular FormulaC23H28F3N5O2
Molecular Weight463.50 g/mol
Exact Mass463.22
IUPAC NameN-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane
SMILESCCC.COc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C20H20F3N5O2.C3H8/c1-30-17-10-15-12(11-28(27-15)13-5-3-2-4-6-13)9-16(17)24-19(29)14-7-8-18(26-25-14)20(21,22)23;1-3-2/h7-11,13H,2-6H2,1H3,(H,24,29);3H2,1-2H3
InChIKeyMUAIMTMNGOTLQJ-UHFFFAOYSA-N
XLogP6.03
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
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-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;methanol
CID 155751757
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448588
N-[2-[4-[(dimethylamino)methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163814713
N-[6-(2-methoxyethoxy)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163769872
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
N-[6-ethoxy-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155437685
methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 154970408
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane
CID 155751873
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide
CID 170240298

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane?
The IUPAC name of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane (CID 155752222) is N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane.
What is the SMILES notation for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane?
The canonical SMILES for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane is CCC.COc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane?
The InChIKey is MUAIMTMNGOTLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2.C3H8/c1-30-17-10-15-12(11-28(27-15)13-5-3-2-4-6-13)9-16(17)24-19(29)14-7-8-18(26-25-14)20(21,22)23;1-3-2/h7-11,13H,2-6H2,1H3,(H,24,29);3H2,1-2H3.
What are the key properties of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane?
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane has a molecular weight of 463.50 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane is sourced from PubChem (CID 155752222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).