3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine

C22H19N3O3 — CID 137405025

IUPAC3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(C2COc3cc(Cc4cnn5ccccc45)ccc3O2)cn1
InChIInChI=1S/C22H19N3O3/c1-26-22-8-6-16(12-23-22)21-14-27-20-11-15(5-7-19(20)28-21)10-17-13-24-25-9-3-2-4-18(17)25/h2-9,11-13,21H,10,14H2,1H3
InChIKeyFMYOGXUQHJMBFO-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.84
Rot. Bonds4

About 3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine

3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine (PubChem CID 137405025) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine
PubChem CID137405025
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(C2COc3cc(Cc4cnn5ccccc45)ccc3O2)cn1
InChIInChI=1S/C22H19N3O3/c1-26-22-8-6-16(12-23-22)21-14-27-20-11-15(5-7-19(20)28-21)10-17-13-24-25-9-3-2-4-18(17)25/h2-9,11-13,21H,10,14H2,1H3
InChIKeyFMYOGXUQHJMBFO-UHFFFAOYSA-N
XLogP3.84
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine (CID 137405025) is 3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine is COc1ccc(C2COc3cc(Cc4cnn5ccccc45)ccc3O2)cn1.
What is the InChIKey of 3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is FMYOGXUQHJMBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-26-22-8-6-16(12-23-22)21-14-27-20-11-15(5-7-19(20)28-21)10-17-13-24-25-9-3-2-4-18(17)25/h2-9,11-13,21H,10,14H2,1H3.
What are the key properties of 3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine?
3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 373.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 137405025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).