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

C26H25F2N5O3 — CID 171469171

IUPAC3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxypyrimidin-4-yl)indazol-2-yl]cyclohexyl]methyl]benzamide
SMILESCOc1nccc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)n1
InChIInChI=1S/C26H25F2N5O3/c1-36-26-29-9-8-22(31-26)16-4-5-17-14-33(32-23(17)12-16)19-6-2-15(3-7-19)13-30-25(35)18-10-20(27)24(34)21(28)11-18/h4-5,8-12,14-15,19,34H,2-3,6-7,13H2,1H3,(H,30,35)
InChIKeyYFFHSRJDCTUOBC-UHFFFAOYSA-N
MW493.51 g/mol
LogP4.65
Rot. Bonds6

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

3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxypyrimidin-4-yl)indazol-2-yl]cyclohexyl]methyl]benzamide (PubChem CID 171469171) has the molecular formula C26H25F2N5O3 and a molecular weight of 493.51 g/mol. Its IUPAC name is 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxypyrimidin-4-yl)indazol-2-yl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxypyrimidin-4-yl)indazol-2-yl]cyclohexyl]methyl]benzamide
PubChem CID171469171
Molecular FormulaC26H25F2N5O3
Molecular Weight493.51 g/mol
Exact Mass493.19
IUPAC Name3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxypyrimidin-4-yl)indazol-2-yl]cyclohexyl]methyl]benzamide
SMILESCOc1nccc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)n1
InChIInChI=1S/C26H25F2N5O3/c1-36-26-29-9-8-22(31-26)16-4-5-17-14-33(32-23(17)12-16)19-6-2-15(3-7-19)13-30-25(35)18-10-20(27)24(34)21(28)11-18/h4-5,8-12,14-15,19,34H,2-3,6-7,13H2,1H3,(H,30,35)
InChIKeyYFFHSRJDCTUOBC-UHFFFAOYSA-N
XLogP4.65
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxypyrimidin-4-yl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxypyrimidin-4-yl)indazol-2-yl]cyclohexyl]methyl]benzamide (CID 171469171) is 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxypyrimidin-4-yl)indazol-2-yl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxypyrimidin-4-yl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxypyrimidin-4-yl)indazol-2-yl]cyclohexyl]methyl]benzamide is COc1nccc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)n1.
What is the InChIKey of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxypyrimidin-4-yl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The InChIKey is YFFHSRJDCTUOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O3/c1-36-26-29-9-8-22(31-26)16-4-5-17-14-33(32-23(17)12-16)19-6-2-15(3-7-19)13-30-25(35)18-10-20(27)24(34)21(28)11-18/h4-5,8-12,14-15,19,34H,2-3,6-7,13H2,1H3,(H,30,35).
What are the key properties of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxypyrimidin-4-yl)indazol-2-yl]cyclohexyl]methyl]benzamide?
3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxypyrimidin-4-yl)indazol-2-yl]cyclohexyl]methyl]benzamide has a molecular weight of 493.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxypyrimidin-4-yl)indazol-2-yl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 171469171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).