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

C14H18ClN3O2 — CID 175944911

IUPAC6-chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine
SMILESCCCOc1nc(Cl)cc2c1cnn2C1CCOCC1
InChIInChI=1S/C14H18ClN3O2/c1-2-5-20-14-11-9-16-18(10-3-6-19-7-4-10)12(11)8-13(15)17-14/h8-10H,2-7H2,1H3
InChIKeyNGOLWGZUZNCTNP-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.22
Rot. Bonds4

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

6-chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine (PubChem CID 175944911) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 6-chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine
PubChem CID175944911
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name6-chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine
SMILESCCCOc1nc(Cl)cc2c1cnn2C1CCOCC1
InChIInChI=1S/C14H18ClN3O2/c1-2-5-20-14-11-9-16-18(10-3-6-19-7-4-10)12(11)8-13(15)17-14/h8-10H,2-7H2,1H3
InChIKeyNGOLWGZUZNCTNP-UHFFFAOYSA-N
XLogP3.22
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.22
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
6-Chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 175944890
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine (CID 175944911) is 6-chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine is CCCOc1nc(Cl)cc2c1cnn2C1CCOCC1.
What is the InChIKey of 6-chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine?
The InChIKey is NGOLWGZUZNCTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-2-5-20-14-11-9-16-18(10-3-6-19-7-4-10)12(11)8-13(15)17-14/h8-10H,2-7H2,1H3.
What are the key properties of 6-chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine?
6-chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine has a molecular weight of 295.77 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine is sourced from PubChem (CID 175944911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).