2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine

C16H16ClF4N3O2 — CID 167425726

IUPAC2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine
SMILESFC(F)OC1CCC(Oc2cc(Cl)ncc2-c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C16H16ClF4N3O2/c17-14-5-13(25-10-1-3-11(4-2-10)26-16(20)21)12(7-22-14)9-6-23-24(8-9)15(18)19/h5-8,10-11,15-16H,1-4H2
InChIKeyVZASGJWVBLRSGH-UHFFFAOYSA-N
MW393.77 g/mol
LogP4.92
Rot. Bonds6

About 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine

2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine (PubChem CID 167425726) has the molecular formula C16H16ClF4N3O2 and a molecular weight of 393.77 g/mol. Its IUPAC name is 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine
PubChem CID167425726
Molecular FormulaC16H16ClF4N3O2
Molecular Weight393.77 g/mol
Exact Mass393.09
IUPAC Name2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine
SMILESFC(F)OC1CCC(Oc2cc(Cl)ncc2-c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C16H16ClF4N3O2/c17-14-5-13(25-10-1-3-11(4-2-10)26-16(20)21)12(7-22-14)9-6-23-24(8-9)15(18)19/h5-8,10-11,15-16H,1-4H2
InChIKeyVZASGJWVBLRSGH-UHFFFAOYSA-N
XLogP4.92
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.77
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1-methylcyclohexan-1-amine
CID 167425971
3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol
CID 167425959
4-[[(2S,9aR)-6-oxo-1,2,3,4,7,8,9,9a-octahydroquinolizin-2-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 170938897
tert-butyl N-[(3R,4S)-1-[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]-3-methylpiperidin-4-yl]carbamate
CID 172626334
tert-butyl N-[(3R,4R)-1-[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]-3-methylpiperidin-4-yl]carbamate
CID 172626714
4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
CID 135355380
4-[[(7S,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-5-[1-(difluoromethyl)pyrazol-4-yl]-N-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 170938838
tert-butyl N-[(3S)-1-[2-chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]-3-methylpiperidin-3-yl]carbamate
CID 172626580
2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine
CID 170305651
2-amino-5-[[(7S,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]oxy]-N-[(4-chlorophenyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]benzamide
CID 156794233
1-(difluoromethyl)-4-(4-methylphenyl)pyrazole
CID 121385898
10-chloro-6-cyclopropyl-9-[1-(difluoromethyl)pyrazol-4-yl]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 146440103

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine?
The IUPAC name of 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine (CID 167425726) is 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine is FC(F)OC1CCC(Oc2cc(Cl)ncc2-c2cnn(C(F)F)c2)CC1.
What is the InChIKey of 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine?
The InChIKey is VZASGJWVBLRSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF4N3O2/c17-14-5-13(25-10-1-3-11(4-2-10)26-16(20)21)12(7-22-14)9-6-23-24(8-9)15(18)19/h5-8,10-11,15-16H,1-4H2.
What are the key properties of 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine?
2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine has a molecular weight of 393.77 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 167425726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).