N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane

C25H33F2N3O2 — CID 155751873

IUPACN-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane
SMILESCC.CC.COc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1cccc(F)c1F
InChIInChI=1S/C21H21F2N3O2.2C2H6/c1-28-19-11-17-13(12-26(25-17)14-6-3-2-4-7-14)10-18(19)24-21(27)15-8-5-9-16(22)20(15)23;2*1-2/h5,8-12,14H,2-4,6-7H2,1H3,(H,24,27);2*1-2H3
InChIKeySRSIFPITCBUVOM-UHFFFAOYSA-N
MW445.55 g/mol
LogP7.13
Rot. Bonds4

About N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane

N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane (PubChem CID 155751873) has the molecular formula C25H33F2N3O2 and a molecular weight of 445.55 g/mol. Its IUPAC name is N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane.

Molecular Properties

Compound NameN-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane
PubChem CID155751873
Molecular FormulaC25H33F2N3O2
Molecular Weight445.55 g/mol
Exact Mass445.25
IUPAC NameN-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane
SMILESCC.CC.COc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1cccc(F)c1F
InChIInChI=1S/C21H21F2N3O2.2C2H6/c1-28-19-11-17-13(12-26(25-17)14-6-3-2-4-7-14)10-18(19)24-21(27)15-8-5-9-16(22)20(15)23;2*1-2/h5,8-12,14H,2-4,6-7H2,1H3,(H,24,27);2*1-2H3
InChIKeySRSIFPITCBUVOM-UHFFFAOYSA-N
XLogP7.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.55
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167156352
3-fluoro-N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 170240266
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 155448904
4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167375489
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridazine-3-carboxamide;propane
CID 155752222
4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide
CID 155449171
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438184
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide
CID 170240298
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;methanol
CID 155751757

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane?
The IUPAC name of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane (CID 155751873) is N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane.
What is the SMILES notation for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane?
The canonical SMILES for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane is CC.CC.COc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1cccc(F)c1F.
What is the InChIKey of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane?
The InChIKey is SRSIFPITCBUVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2.2C2H6/c1-28-19-11-17-13(12-26(25-17)14-6-3-2-4-7-14)10-18(19)24-21(27)15-8-5-9-16(22)20(15)23;2*1-2/h5,8-12,14H,2-4,6-7H2,1H3,(H,24,27);2*1-2H3.
What are the key properties of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane?
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane has a molecular weight of 445.55 g/mol, XLogP of 7.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane is sourced from PubChem (CID 155751873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).