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

C26H25F2N5O2 — CID 171469079

IUPAC3,5-difluoro-4-hydroxy-N-[[4-[6-(6-methylpyridazin-3-yl)indazol-2-yl]cyclohexyl]methyl]benzamide
SMILESCc1ccc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)nn1
InChIInChI=1S/C26H25F2N5O2/c1-15-2-9-23(31-30-15)17-5-6-18-14-33(32-24(18)12-17)20-7-3-16(4-8-20)13-29-26(35)19-10-21(27)25(34)22(28)11-19/h2,5-6,9-12,14,16,20,34H,3-4,7-8,13H2,1H3,(H,29,35)
InChIKeyKFSZJICAARWAHJ-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.95
Rot. Bonds5

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

3,5-difluoro-4-hydroxy-N-[[4-[6-(6-methylpyridazin-3-yl)indazol-2-yl]cyclohexyl]methyl]benzamide (PubChem CID 171469079) 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-(6-methylpyridazin-3-yl)indazol-2-yl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydroxy-N-[[4-[6-(6-methylpyridazin-3-yl)indazol-2-yl]cyclohexyl]methyl]benzamide
PubChem CID171469079
Molecular FormulaC26H25F2N5O2
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name3,5-difluoro-4-hydroxy-N-[[4-[6-(6-methylpyridazin-3-yl)indazol-2-yl]cyclohexyl]methyl]benzamide
SMILESCc1ccc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)nn1
InChIInChI=1S/C26H25F2N5O2/c1-15-2-9-23(31-30-15)17-5-6-18-14-33(32-24(18)12-17)20-7-3-16(4-8-20)13-29-26(35)19-10-21(27)25(34)22(28)11-19/h2,5-6,9-12,14,16,20,34H,3-4,7-8,13H2,1H3,(H,29,35)
InChIKeyKFSZJICAARWAHJ-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

Analyze 3,5-difluoro-4-hydroxy-N-[[4-[6-(6-methylpyridazin-3-yl)indazol-2-yl]cyclohexyl]methyl]benzamide with MolForge

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Related Compounds

3-[[4-[1-[3-(4-Methoxy-3-pyridinyl)-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
CID 122189697
3-[[4-[1-[3-(6-Methoxy-3-pyridinyl)-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
CID 122189699
3-[[4-[1-[3-(2-Methoxy-3-pyridinyl)-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
CID 122189700
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
US20240150334, Example 49
CID 171503794
US12473304, Example 94
CID 156828817
US20240150334, Example 10
CID 171469076
US20240150334, Example 97
CID 171469080

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-[6-(6-methylpyridazin-3-yl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-[6-(6-methylpyridazin-3-yl)indazol-2-yl]cyclohexyl]methyl]benzamide (CID 171469079) is 3,5-difluoro-4-hydroxy-N-[[4-[6-(6-methylpyridazin-3-yl)indazol-2-yl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydroxy-N-[[4-[6-(6-methylpyridazin-3-yl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-hydroxy-N-[[4-[6-(6-methylpyridazin-3-yl)indazol-2-yl]cyclohexyl]methyl]benzamide is Cc1ccc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)nn1.
What is the InChIKey of 3,5-difluoro-4-hydroxy-N-[[4-[6-(6-methylpyridazin-3-yl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The InChIKey is KFSZJICAARWAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O2/c1-15-2-9-23(31-30-15)17-5-6-18-14-33(32-24(18)12-17)20-7-3-16(4-8-20)13-29-26(35)19-10-21(27)25(34)22(28)11-19/h2,5-6,9-12,14,16,20,34H,3-4,7-8,13H2,1H3,(H,29,35).
What are the key properties of 3,5-difluoro-4-hydroxy-N-[[4-[6-(6-methylpyridazin-3-yl)indazol-2-yl]cyclohexyl]methyl]benzamide?
3,5-difluoro-4-hydroxy-N-[[4-[6-(6-methylpyridazin-3-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-(6-methylpyridazin-3-yl)indazol-2-yl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 171469079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).