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

C17H18N4O3 — CID 56942365

IUPAC3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1
InChIInChI=1S/C17H18N4O3/c1-22-14-10-11(2-6-18-14)16-15-13(20-21-16)3-7-19-17(15)24-12-4-8-23-9-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,20,21)
InChIKeyWIXFHOPNPSRMJG-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.59
Rot. Bonds4

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

3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 56942365) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
PubChem CID56942365
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1
InChIInChI=1S/C17H18N4O3/c1-22-14-10-11(2-6-18-14)16-15-13(20-21-16)3-7-19-17(15)24-12-4-8-23-9-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,20,21)
InChIKeyWIXFHOPNPSRMJG-UHFFFAOYSA-N
XLogP2.59
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (CID 56942365) is 3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is COc1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1.
What is the InChIKey of 3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is WIXFHOPNPSRMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-22-14-10-11(2-6-18-14)16-15-13(20-21-16)3-7-19-17(15)24-12-4-8-23-9-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,20,21).
What are the key properties of 3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 326.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 56942365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).