2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide

C27H32ClN3O2 — CID 45110513

IUPAC2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide
SMILESO=C(NC1CCC(O)CC1)C(c1c2ccccc2nn1-c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C27H32ClN3O2/c28-19-10-14-21(15-11-19)31-26(23-8-4-5-9-24(23)30-31)25(18-6-2-1-3-7-18)27(33)29-20-12-16-22(32)17-13-20/h4-5,8-11,14-15,18,20,22,25,32H,1-3,6-7,12-13,16-17H2,(H,29,33)
InChIKeyDYKWLSGPUDZRKM-UHFFFAOYSA-N
MW466.03 g/mol
LogP5.76
Rot. Bonds5

About 2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide

2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide (PubChem CID 45110513) has the molecular formula C27H32ClN3O2 and a molecular weight of 466.03 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide
PubChem CID45110513
Molecular FormulaC27H32ClN3O2
Molecular Weight466.03 g/mol
Exact Mass465.22
IUPAC Name2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide
SMILESO=C(NC1CCC(O)CC1)C(c1c2ccccc2nn1-c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C27H32ClN3O2/c28-19-10-14-21(15-11-19)31-26(23-8-4-5-9-24(23)30-31)25(18-6-2-1-3-7-18)27(33)29-20-12-16-22(32)17-13-20/h4-5,8-11,14-15,18,20,22,25,32H,1-3,6-7,12-13,16-17H2,(H,29,33)
InChIKeyDYKWLSGPUDZRKM-UHFFFAOYSA-N
XLogP5.76
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.03
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide
CID 45110383
ethyl 4-[[2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexylacetyl]amino]-3-fluorobenzoate
CID 67131173
1-[2-(4-chlorophenyl)indazol-3-yl]-1,3-dicyclohexylurea
CID 46182762
methyl 4-[[2-(4-chlorophenyl)indazol-3-yl]-(cyclohexylmethoxy)methyl]benzoate
CID 45110645
2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole
CID 141373075
2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetamide
CID 141259798
[2-(4-chlorophenyl)indazol-3-yl]-cyclohexylmethanone;2-iodylbenzoic acid
CID 160648793
(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone
CID 71481537
methyl 3-chloro-4-[[2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetyl]amino]benzoate
CID 67131191
2-(4-chlorophenyl)-3-[1-cyclohexyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenoxy]ethyl]indazole
CID 45111057
N-cyclohexyl-2-pyridin-3-ylindazole-3-carboxamide
CID 172690022
1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea
CID 42684964

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide (CID 45110513) is 2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide is O=C(NC1CCC(O)CC1)C(c1c2ccccc2nn1-c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide?
The InChIKey is DYKWLSGPUDZRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O2/c28-19-10-14-21(15-11-19)31-26(23-8-4-5-9-24(23)30-31)25(18-6-2-1-3-7-18)27(33)29-20-12-16-22(32)17-13-20/h4-5,8-11,14-15,18,20,22,25,32H,1-3,6-7,12-13,16-17H2,(H,29,33).
What are the key properties of 2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide?
2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide has a molecular weight of 466.03 g/mol, XLogP of 5.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)indazol-3-yl]-2-cyclohexyl-N-(4-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 45110513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).