7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one

C22H19N5O2 — CID 20951873

IUPAC7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)n(Cc4ccc5nonc5c4)c32)cc1
InChIInChI=1S/C22H19N5O2/c1-13-4-7-17(8-5-13)27-22-21(15(3)23-27)14(2)10-20(28)26(22)12-16-6-9-18-19(11-16)25-29-24-18/h4-11H,12H2,1-3H3
InChIKeyZMGPWYOMZFFOLO-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.70
Rot. Bonds3

About 7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one

7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one (PubChem CID 20951873) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
PubChem CID20951873
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)n(Cc4ccc5nonc5c4)c32)cc1
InChIInChI=1S/C22H19N5O2/c1-13-4-7-17(8-5-13)27-22-21(15(3)23-27)14(2)10-20(28)26(22)12-16-6-9-18-19(11-16)25-29-24-18/h4-11H,12H2,1-3H3
InChIKeyZMGPWYOMZFFOLO-UHFFFAOYSA-N
XLogP3.70
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one (CID 20951873) is 7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(Cc4ccc5nonc5c4)c32)cc1.
What is the InChIKey of 7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ZMGPWYOMZFFOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-13-4-7-17(8-5-13)27-22-21(15(3)23-27)14(2)10-20(28)26(22)12-16-6-9-18-19(11-16)25-29-24-18/h4-11H,12H2,1-3H3.
What are the key properties of 7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one?
7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 385.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 20951873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).