3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide

C26H24F5N5O2 — CID 171503794

IUPAC3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide
SMILESCn1cc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)c(C(F)(F)F)n1
InChIInChI=1S/C26H24F5N5O2/c1-35-13-19(24(34-35)26(29,30)31)15-4-5-16-12-36(33-22(16)10-15)18-6-2-14(3-7-18)11-32-25(38)17-8-20(27)23(37)21(28)9-17/h4-5,8-10,12-14,18,37H,2-3,6-7,11H2,1H3,(H,32,38)
InChIKeyDFOVFSDLJULDBL-UHFFFAOYSA-N
MW533.50 g/mol
LogP5.60
Rot. Bonds5

About 3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide

3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide (PubChem CID 171503794) has the molecular formula C26H24F5N5O2 and a molecular weight of 533.50 g/mol. Its IUPAC name is 3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide
PubChem CID171503794
Molecular FormulaC26H24F5N5O2
Molecular Weight533.50 g/mol
Exact Mass533.19
IUPAC Name3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide
SMILESCn1cc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)c(C(F)(F)F)n1
InChIInChI=1S/C26H24F5N5O2/c1-35-13-19(24(34-35)26(29,30)31)15-4-5-16-12-36(33-22(16)10-15)18-6-2-14(3-7-18)11-32-25(38)17-8-20(27)23(37)21(28)9-17/h4-5,8-10,12-14,18,37H,2-3,6-7,11H2,1H3,(H,32,38)
InChIKeyDFOVFSDLJULDBL-UHFFFAOYSA-N
XLogP5.60
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.50
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US20240150334, Example 43
CID 171469092
US20240150334, Example 56
CID 171469118
US20240150334, Example 36
CID 171469287
Hsd17B13-IN-103
CID 171469320
US20240150334, Example 48
CID 171469374
US12473304, Example 94
CID 156828817
US20240150334, Example 10
CID 171469076
US20240150334, Example 63
CID 171469079
US20240150334, Example 81
CID 171469086
US20240150334, Example 106
CID 171469087
US20240150334, Example 24
CID 171469089
US20240150334, Example 71
CID 171469091

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide (CID 171503794) is 3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide is Cn1cc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)c(C(F)(F)F)n1.
What is the InChIKey of 3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide?
The InChIKey is DFOVFSDLJULDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F5N5O2/c1-35-13-19(24(34-35)26(29,30)31)15-4-5-16-12-36(33-22(16)10-15)18-6-2-14(3-7-18)11-32-25(38)17-8-20(27)23(37)21(28)9-17/h4-5,8-10,12-14,18,37H,2-3,6-7,11H2,1H3,(H,32,38).
What are the key properties of 3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide?
3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide has a molecular weight of 533.50 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydroxy-N-[[4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 171503794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).