N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide

C22H20F5N3O2 — CID 171503854

IUPACN-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
SMILESO=C(NCC1CCC(n2cc3ccc(C(F)F)cc3n2)CC1)c1cc(F)c(O)c(F)c1F
InChIInChI=1S/C22H20F5N3O2/c23-16-8-15(18(24)19(25)20(16)31)22(32)28-9-11-1-5-14(6-2-11)30-10-13-4-3-12(21(26)27)7-17(13)29-30/h3-4,7-8,10-11,14,21,31H,1-2,5-6,9H2,(H,28,32)
InChIKeyPFVDNMNEGRDJNT-UHFFFAOYSA-N
MW453.41 g/mol
LogP5.26
Rot. Bonds5

About N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide

N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide (PubChem CID 171503854) has the molecular formula C22H20F5N3O2 and a molecular weight of 453.41 g/mol. Its IUPAC name is N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
PubChem CID171503854
Molecular FormulaC22H20F5N3O2
Molecular Weight453.41 g/mol
Exact Mass453.15
IUPAC NameN-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
SMILESO=C(NCC1CCC(n2cc3ccc(C(F)F)cc3n2)CC1)c1cc(F)c(O)c(F)c1F
InChIInChI=1S/C22H20F5N3O2/c23-16-8-15(18(24)19(25)20(16)31)22(32)28-9-11-1-5-14(6-2-11)30-10-13-4-3-12(21(26)27)7-17(13)29-30/h3-4,7-8,10-11,14,21,31H,1-2,5-6,9H2,(H,28,32)
InChIKeyPFVDNMNEGRDJNT-UHFFFAOYSA-N
XLogP5.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.41
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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
methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate
CID 155437767
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-pyridazin-4-ylindazol-2-yl)cyclohexyl]methyl]benzamide
CID 171469091
3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide
CID 171469323
2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[[4-[6-(4-methylpiperazin-1-yl)indazol-2-yl]cyclohexyl]methyl]benzamide
CID 171469303
N-[[4-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide;hydrochloride
CID 177313127
N-[[4-[6-[4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]propyl]piperazin-1-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171767820
N-[[4-[6-[(3aR,7aS)-5-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171767726
N-[[4-[6-[(3aS,7aR)-2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171767735
N-[[4-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171767505
N-[[4-[6-[2-[4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]propyl]piperazin-1-yl]pyrimidin-5-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171767485

Frequently Asked Questions

What is the IUPAC name of N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide?
The IUPAC name of N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide (CID 171503854) is N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide?
The canonical SMILES for N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide is O=C(NCC1CCC(n2cc3ccc(C(F)F)cc3n2)CC1)c1cc(F)c(O)c(F)c1F.
What is the InChIKey of N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide?
The InChIKey is PFVDNMNEGRDJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F5N3O2/c23-16-8-15(18(24)19(25)20(16)31)22(32)28-9-11-1-5-14(6-2-11)30-10-13-4-3-12(21(26)27)7-17(13)29-30/h3-4,7-8,10-11,14,21,31H,1-2,5-6,9H2,(H,28,32).
What are the key properties of N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide?
N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide has a molecular weight of 453.41 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide is sourced from PubChem (CID 171503854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).