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

C27H26F2N4O2 — CID 171469086

IUPAC3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methyl-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide
SMILESCc1cc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)ccn1
InChIInChI=1S/C27H26F2N4O2/c1-16-10-19(8-9-30-16)18-4-5-20-15-33(32-25(20)13-18)22-6-2-17(3-7-22)14-31-27(35)21-11-23(28)26(34)24(29)12-21/h4-5,8-13,15,17,22,34H,2-3,6-7,14H2,1H3,(H,31,35)
InChIKeyUTUOBBNOIBDJJB-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.55
Rot. Bonds5

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

3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methyl-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide (PubChem CID 171469086) has the molecular formula C27H26F2N4O2 and a molecular weight of 476.53 g/mol. Its IUPAC name is 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methyl-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methyl-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide
PubChem CID171469086
Molecular FormulaC27H26F2N4O2
Molecular Weight476.53 g/mol
Exact Mass476.20
IUPAC Name3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methyl-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide
SMILESCc1cc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)ccn1
InChIInChI=1S/C27H26F2N4O2/c1-16-10-19(8-9-30-16)18-4-5-20-15-33(32-25(20)13-18)22-6-2-17(3-7-22)14-31-27(35)21-11-23(28)26(34)24(29)12-21/h4-5,8-13,15,17,22,34H,2-3,6-7,14H2,1H3,(H,31,35)
InChIKeyUTUOBBNOIBDJJB-UHFFFAOYSA-N
XLogP5.55
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 135927897
N-{2-[(1r,4r)-4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide
CID 146598926
2-fluoro-4-(3-fluoro-4-hydroxyphenyl)-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72705271
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-(5-Methoxy-3-pyridinyl)-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
CID 122189698
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
3-[[4-[1-[6-(6-Methoxy-3-pyridinyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]indazol-1-yl]pentyl]benzoyl]amino]propanoic acid
CID 122189716
US20240150334, Example 43
CID 171469092
US20240150334, Example 56
CID 171469118
US20240150334, Example 36
CID 171469287
Hsd17B13-IN-103
CID 171469320

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methyl-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methyl-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide (CID 171469086) is 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methyl-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methyl-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methyl-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide is Cc1cc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)ccn1.
What is the InChIKey of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methyl-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The InChIKey is UTUOBBNOIBDJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O2/c1-16-10-19(8-9-30-16)18-4-5-20-15-33(32-25(20)13-18)22-6-2-17(3-7-22)14-31-27(35)21-11-23(28)26(34)24(29)12-21/h4-5,8-13,15,17,22,34H,2-3,6-7,14H2,1H3,(H,31,35).
What are the key properties of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methyl-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide?
3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methyl-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide has a molecular weight of 476.53 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methyl-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 171469086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).