6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine

C13H16ClN3O2 — CID 175944890

IUPAC6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
SMILESCCOc1nc(Cl)cc2c1cnn2C1CCOCC1
InChIInChI=1S/C13H16ClN3O2/c1-2-19-13-10-8-15-17(9-3-5-18-6-4-9)11(10)7-12(14)16-13/h7-9H,2-6H2,1H3
InChIKeyKQMCCJYDXIUYTE-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.83
Rot. Bonds3

About 6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine

6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine (PubChem CID 175944890) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
PubChem CID175944890
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
SMILESCCOc1nc(Cl)cc2c1cnn2C1CCOCC1
InChIInChI=1S/C13H16ClN3O2/c1-2-19-13-10-8-15-17(9-3-5-18-6-4-9)11(10)7-12(14)16-13/h7-9H,2-6H2,1H3
InChIKeyKQMCCJYDXIUYTE-UHFFFAOYSA-N
XLogP2.83
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.83
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

4-(4-Chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene
CID 25187293
4-Ethoxy-3-methyl-1h-pyrazolo[4,3-c]pyridine
CID 46912641
3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine
CID 59618824
3-chloro-2-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}-5-(trifluoromethyl)pyridine
CID 2767282
4-(4-Chlorophenyl)-5-[(2-chlorophenyl)methoxy]-3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-1(9),2,5,7-tetraene
CID 53320033
3-[2-(2-chlorophenyl)ethynyl]-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine
CID 68069936
3-chloro-2-{[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy}-5-(trifluoromethyl)pyridine
CID 2768929
6-Chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 175944886
2-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid
CID 175944889
2-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)-N-hydroxyacetamide
CID 175944893
4-Ethoxy-1-(oxan-4-yl)pyrazolo[4,5-c]pyridine-6-carbonitrile
CID 175944895
4-(6-Chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid
CID 175944896

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine (CID 175944890) is 6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine is CCOc1nc(Cl)cc2c1cnn2C1CCOCC1.
What is the InChIKey of 6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is KQMCCJYDXIUYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-2-19-13-10-8-15-17(9-3-5-18-6-4-9)11(10)7-12(14)16-13/h7-9H,2-6H2,1H3.
What are the key properties of 6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine?
6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 281.74 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 175944890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).