5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one

C20H21N3O4 — CID 131984905

IUPAC5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCc1cc2c(cnn2C2CCOCC2)c(=O)n1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O4/c1-13-8-17-16(10-21-23(17)15-4-6-25-7-5-15)20(24)22(13)11-14-2-3-18-19(9-14)27-12-26-18/h2-3,8-10,15H,4-7,11-12H2,1H3
InChIKeyAPQLMNUUGPWXRZ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.63
Rot. Bonds3

About 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one

5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one (PubChem CID 131984905) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
PubChem CID131984905
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCc1cc2c(cnn2C2CCOCC2)c(=O)n1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O4/c1-13-8-17-16(10-21-23(17)15-4-6-25-7-5-15)20(24)22(13)11-14-2-3-18-19(9-14)27-12-26-18/h2-3,8-10,15H,4-7,11-12H2,1H3
InChIKeyAPQLMNUUGPWXRZ-UHFFFAOYSA-N
XLogP2.63
TPSA67.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one (CID 131984905) is 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one is Cc1cc2c(cnn2C2CCOCC2)c(=O)n1Cc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is APQLMNUUGPWXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-8-17-16(10-21-23(17)15-4-6-25-7-5-15)20(24)22(13)11-14-2-3-18-19(9-14)27-12-26-18/h2-3,8-10,15H,4-7,11-12H2,1H3.
What are the key properties of 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 367.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 131984905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).