5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole

C19H17ClF2N2O — CID 57420559

IUPAC5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole
SMILESFc1ccc(F)c(-n2nc(OC3CCCCC3)c3cc(Cl)ccc32)c1
InChIInChI=1S/C19H17ClF2N2O/c20-12-6-9-17-15(10-12)19(25-14-4-2-1-3-5-14)23-24(17)18-11-13(21)7-8-16(18)22/h6-11,14H,1-5H2
InChIKeySHTBNYNIAHIYFD-UHFFFAOYSA-N
MW362.81 g/mol
LogP5.67
Rot. Bonds3

About 5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole

5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole (PubChem CID 57420559) has the molecular formula C19H17ClF2N2O and a molecular weight of 362.81 g/mol. Its IUPAC name is 5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole.

Molecular Properties

Compound Name5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole
PubChem CID57420559
Molecular FormulaC19H17ClF2N2O
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole
SMILESFc1ccc(F)c(-n2nc(OC3CCCCC3)c3cc(Cl)ccc32)c1
InChIInChI=1S/C19H17ClF2N2O/c20-12-6-9-17-15(10-12)19(25-14-4-2-1-3-5-14)23-24(17)18-11-13(21)7-8-16(18)22/h6-11,14H,1-5H2
InChIKeySHTBNYNIAHIYFD-UHFFFAOYSA-N
XLogP5.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.81
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole?
The IUPAC name of 5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole (CID 57420559) is 5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole.
What is the SMILES notation for 5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole?
The canonical SMILES for 5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole is Fc1ccc(F)c(-n2nc(OC3CCCCC3)c3cc(Cl)ccc32)c1.
What is the InChIKey of 5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole?
The InChIKey is SHTBNYNIAHIYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O/c20-12-6-9-17-15(10-12)19(25-14-4-2-1-3-5-14)23-24(17)18-11-13(21)7-8-16(18)22/h6-11,14H,1-5H2.
What are the key properties of 5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole?
5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole has a molecular weight of 362.81 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclohexyloxy-1-(2,5-difluorophenyl)indazole is sourced from PubChem (CID 57420559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).