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

C26H25F2N5O2 — CID 171469291

IUPAC3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methylpyrimidin-5-yl)indazol-2-yl]cyclohexyl]methyl]benzamide
SMILESCc1ncc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)cn1
InChIInChI=1S/C26H25F2N5O2/c1-15-29-12-20(13-30-15)17-4-5-18-14-33(32-24(18)10-17)21-6-2-16(3-7-21)11-31-26(35)19-8-22(27)25(34)23(28)9-19/h4-5,8-10,12-14,16,21,34H,2-3,6-7,11H2,1H3,(H,31,35)
InChIKeyTZYNPJFKPZDOFC-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.95
Rot. Bonds5

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

3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methylpyrimidin-5-yl)indazol-2-yl]cyclohexyl]methyl]benzamide (PubChem CID 171469291) has the molecular formula C26H25F2N5O2 and a molecular weight of 477.52 g/mol. Its IUPAC name is 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methylpyrimidin-5-yl)indazol-2-yl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methylpyrimidin-5-yl)indazol-2-yl]cyclohexyl]methyl]benzamide
PubChem CID171469291
Molecular FormulaC26H25F2N5O2
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methylpyrimidin-5-yl)indazol-2-yl]cyclohexyl]methyl]benzamide
SMILESCc1ncc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)cn1
InChIInChI=1S/C26H25F2N5O2/c1-15-29-12-20(13-30-15)17-4-5-18-14-33(32-24(18)10-17)21-6-2-16(3-7-21)11-31-26(35)19-8-22(27)25(34)23(28)9-19/h4-5,8-10,12-14,16,21,34H,2-3,6-7,11H2,1H3,(H,31,35)
InChIKeyTZYNPJFKPZDOFC-UHFFFAOYSA-N
XLogP4.95
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methylpyrimidin-5-yl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methylpyrimidin-5-yl)indazol-2-yl]cyclohexyl]methyl]benzamide (CID 171469291) is 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methylpyrimidin-5-yl)indazol-2-yl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methylpyrimidin-5-yl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methylpyrimidin-5-yl)indazol-2-yl]cyclohexyl]methyl]benzamide is Cc1ncc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)cn1.
What is the InChIKey of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methylpyrimidin-5-yl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The InChIKey is TZYNPJFKPZDOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O2/c1-15-29-12-20(13-30-15)17-4-5-18-14-33(32-24(18)10-17)21-6-2-16(3-7-21)11-31-26(35)19-8-22(27)25(34)23(28)9-19/h4-5,8-10,12-14,16,21,34H,2-3,6-7,11H2,1H3,(H,31,35).
What are the key properties of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methylpyrimidin-5-yl)indazol-2-yl]cyclohexyl]methyl]benzamide?
3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methylpyrimidin-5-yl)indazol-2-yl]cyclohexyl]methyl]benzamide has a molecular weight of 477.52 g/mol, XLogP of 4.95, 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-(2-methylpyrimidin-5-yl)indazol-2-yl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 171469291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).