3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

C18H20N4O2 — CID 56942364

IUPAC3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCc1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(C)n1
InChIInChI=1S/C18H20N4O2/c1-11-9-13(10-12(2)20-11)17-16-15(21-22-17)3-6-19-18(16)24-14-4-7-23-8-5-14/h3,6,9-10,14H,4-5,7-8H2,1-2H3,(H,21,22)
InChIKeyDXZPXAGWNZTVPO-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.19
Rot. Bonds3

About 3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 56942364) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
PubChem CID56942364
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCc1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(C)n1
InChIInChI=1S/C18H20N4O2/c1-11-9-13(10-12(2)20-11)17-16-15(21-22-17)3-6-19-18(16)24-14-4-7-23-8-5-14/h3,6,9-10,14H,4-5,7-8H2,1-2H3,(H,21,22)
InChIKeyDXZPXAGWNZTVPO-UHFFFAOYSA-N
XLogP3.19
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (CID 56942364) is 3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is Cc1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(C)n1.
What is the InChIKey of 3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is DXZPXAGWNZTVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-9-13(10-12(2)20-11)17-16-15(21-22-17)3-6-19-18(16)24-14-4-7-23-8-5-14/h3,6,9-10,14H,4-5,7-8H2,1-2H3,(H,21,22).
What are the key properties of 3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 324.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 56942364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).