6-chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine

C14H18ClN3O2 — CID 175944897

IUPAC6-chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine
SMILESCC(C)Oc1nc(Cl)cc2c1cnn2C1CCOCC1
InChIInChI=1S/C14H18ClN3O2/c1-9(2)20-14-11-8-16-18(10-3-5-19-6-4-10)12(11)7-13(15)17-14/h7-10H,3-6H2,1-2H3
InChIKeyYOCKEGFGWAKBPA-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.22
Rot. Bonds3

About 6-chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine

6-chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine (PubChem CID 175944897) 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-propan-2-yloxypyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine
PubChem CID175944897
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name6-chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine
SMILESCC(C)Oc1nc(Cl)cc2c1cnn2C1CCOCC1
InChIInChI=1S/C14H18ClN3O2/c1-9(2)20-14-11-8-16-18(10-3-5-19-6-4-10)12(11)7-13(15)17-14/h7-10H,3-6H2,1-2H3
InChIKeyYOCKEGFGWAKBPA-UHFFFAOYSA-N
XLogP3.22
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine (CID 175944897) is 6-chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine is CC(C)Oc1nc(Cl)cc2c1cnn2C1CCOCC1.
What is the InChIKey of 6-chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine?
The InChIKey is YOCKEGFGWAKBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-9(2)20-14-11-8-16-18(10-3-5-19-6-4-10)12(11)7-13(15)17-14/h7-10H,3-6H2,1-2H3.
What are the key properties of 6-chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine?
6-chloro-1-(oxan-4-yl)-4-propan-2-yloxypyrazolo[4,3-c]pyridine has a molecular weight of 295.77 g/mol, XLogP of 3.22, 3 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-propan-2-yloxypyrazolo[4,3-c]pyridine is sourced from PubChem (CID 175944897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).