N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide

C28H24F2N4O2 — CID 171469162

IUPACN-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
SMILESN#Cc1cccc(-c2ccc3nn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)cc3c2)c1
InChIInChI=1S/C28H24F2N4O2/c29-24-12-21(13-25(30)27(24)35)28(36)32-15-17-4-7-23(8-5-17)34-16-22-11-20(6-9-26(22)33-34)19-3-1-2-18(10-19)14-31/h1-3,6,9-13,16-17,23,35H,4-5,7-8,15H2,(H,32,36)
InChIKeyMVZACPPKVJTADD-UHFFFAOYSA-N
MW486.52 g/mol
LogP5.72
Rot. Bonds5

About N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide

N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide (PubChem CID 171469162) has the molecular formula C28H24F2N4O2 and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
PubChem CID171469162
Molecular FormulaC28H24F2N4O2
Molecular Weight486.52 g/mol
Exact Mass486.19
IUPAC NameN-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
SMILESN#Cc1cccc(-c2ccc3nn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)cc3c2)c1
InChIInChI=1S/C28H24F2N4O2/c29-24-12-21(13-25(30)27(24)35)28(36)32-15-17-4-7-23(8-5-17)34-16-22-11-20(6-9-26(22)33-34)19-3-1-2-18(10-19)14-31/h1-3,6,9-13,16-17,23,35H,4-5,7-8,15H2,(H,32,36)
InChIKeyMVZACPPKVJTADD-UHFFFAOYSA-N
XLogP5.72
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-4-hydroxy-N-[[4-(6-pyridazin-4-ylindazol-2-yl)cyclohexyl]methyl]benzamide
CID 171469091
N-[[4-[6-(4,6-dimethylpyrimidin-2-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
CID 171469112
3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide
CID 171469323
N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171503854
3-cyano-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108732
2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 46890786
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
N-[[4-[6-[4-(2-azaspiro[4.5]decan-8-yl)piperazin-1-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171767517
3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide
CID 118793007
5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide
CID 154453798
N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
CID 174329037
3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 54927964

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide?
The IUPAC name of N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide (CID 171469162) is N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide?
The canonical SMILES for N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide is N#Cc1cccc(-c2ccc3nn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)cc3c2)c1.
What is the InChIKey of N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide?
The InChIKey is MVZACPPKVJTADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N4O2/c29-24-12-21(13-25(30)27(24)35)28(36)32-15-17-4-7-23(8-5-17)34-16-22-11-20(6-9-26(22)33-34)19-3-1-2-18(10-19)14-31/h1-3,6,9-13,16-17,23,35H,4-5,7-8,15H2,(H,32,36).
What are the key properties of N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide?
N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide has a molecular weight of 486.52 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide is sourced from PubChem (CID 171469162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).