2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine

C18H22ClN3O2 — CID 155765610

IUPAC2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine
SMILESC[C@@H]1CC(n2nc(C3CC3)cc2Oc2ccnc(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C18H22ClN3O2/c1-11-7-14(8-12(2)23-11)22-18(10-16(21-22)13-3-4-13)24-15-5-6-20-17(19)9-15/h5-6,9-14H,3-4,7-8H2,1-2H3/t11-,12+,14?
InChIKeyJFSLIFHNUZDCJQ-ONXXMXGDSA-N
MW347.85 g/mol
LogP4.73
Rot. Bonds4

About 2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine

2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine (PubChem CID 155765610) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine.

Molecular Properties

Compound Name2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine
PubChem CID155765610
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine
SMILESC[C@@H]1CC(n2nc(C3CC3)cc2Oc2ccnc(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C18H22ClN3O2/c1-11-7-14(8-12(2)23-11)22-18(10-16(21-22)13-3-4-13)24-15-5-6-20-17(19)9-15/h5-6,9-14H,3-4,7-8H2,1-2H3/t11-,12+,14?
InChIKeyJFSLIFHNUZDCJQ-ONXXMXGDSA-N
XLogP4.73
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[4-[3-cyclopropyl-1-(oxan-4-yl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155450805
2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine
CID 164715787
2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine
CID 155765634
2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine
CID 150825451
(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 103936707
2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine
CID 121249468
2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine
CID 147277185
2-chloro-4-[4-[2-(4-cyclobutyloxyphenyl)propan-2-yl]phenoxy]pyridine
CID 175849398
5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine
CID 154963843
4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
CID 113302886
2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine
CID 121249435
4-(4-tert-butylphenoxy)-2-chloropyridine
CID 63777784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine?
The IUPAC name of 2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine (CID 155765610) is 2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine.
What is the SMILES notation for 2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine?
The canonical SMILES for 2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine is C[C@@H]1CC(n2nc(C3CC3)cc2Oc2ccnc(Cl)c2)C[C@H](C)O1.
What is the InChIKey of 2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine?
The InChIKey is JFSLIFHNUZDCJQ-ONXXMXGDSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-11-7-14(8-12(2)23-11)22-18(10-16(21-22)13-3-4-13)24-15-5-6-20-17(19)9-15/h5-6,9-14H,3-4,7-8H2,1-2H3/t11-,12+,14?.
What are the key properties of 2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine?
2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine has a molecular weight of 347.85 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine is sourced from PubChem (CID 155765610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).