3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C20H20N4O2 — CID 26409363

IUPAC3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)n1
InChIInChI=1S/C20H20N4O2/c1-13-3-2-4-15(21-13)10-24-8-7-17-16(11-24)20(23-22-17)14-5-6-18-19(9-14)26-12-25-18/h2-6,9H,7-8,10-12H2,1H3,(H,22,23)
InChIKeyWPASKCFQFVGJTB-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.07
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 26409363) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID26409363
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)n1
InChIInChI=1S/C20H20N4O2/c1-13-3-2-4-15(21-13)10-24-8-7-17-16(11-24)20(23-22-17)14-5-6-18-19(9-14)26-12-25-18/h2-6,9H,7-8,10-12H2,1H3,(H,22,23)
InChIKeyWPASKCFQFVGJTB-UHFFFAOYSA-N
XLogP3.07
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 26409363) is 3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is Cc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)n1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is WPASKCFQFVGJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-3-2-4-15(21-13)10-24-8-7-17-16(11-24)20(23-22-17)14-5-6-18-19(9-14)26-12-25-18/h2-6,9H,7-8,10-12H2,1H3,(H,22,23).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 348.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-[(6-methyl-2-pyridinyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 26409363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).