3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

C25H26N4O — CID 20863832

IUPAC3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCc2ccccc2)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C25H26N4O/c1-17(14-15-20-10-6-4-7-11-20)27-25(30)22-16-18(2)26-24-23(22)19(3)28-29(24)21-12-8-5-9-13-21/h4-13,16-17H,14-15H2,1-3H3,(H,27,30)
InChIKeyCYUJQKYGPBWJPD-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.79
Rot. Bonds6

About 3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20863832) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20863832
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCc2ccccc2)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C25H26N4O/c1-17(14-15-20-10-6-4-7-11-20)27-25(30)22-16-18(2)26-24-23(22)19(3)28-29(24)21-12-8-5-9-13-21/h4-13,16-17H,14-15H2,1-3H3,(H,27,30)
InChIKeyCYUJQKYGPBWJPD-UHFFFAOYSA-N
XLogP4.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 20863832) is 3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC(C)CCc2ccccc2)c2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is CYUJQKYGPBWJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-17(14-15-20-10-6-4-7-11-20)27-25(30)22-16-18(2)26-24-23(22)19(3)28-29(24)21-12-8-5-9-13-21/h4-13,16-17H,14-15H2,1-3H3,(H,27,30).
What are the key properties of 3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20863832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).