3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C25H26N4O — CID 92687692

IUPAC3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(C(=O)NC[C@H](C)c4ccccc4)cc(C)nc32)cc1
InChIInChI=1S/C25H26N4O/c1-16-10-12-21(13-11-16)29-24-23(19(4)28-29)22(14-18(3)27-24)25(30)26-15-17(2)20-8-6-5-7-9-20/h5-14,17H,15H2,1-4H3,(H,26,30)/t17-/m0/s1
InChIKeyOYPXLGJKZNRMIP-KRWDZBQOSA-N
MW398.51 g/mol
LogP4.88
Rot. Bonds5

About 3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide

3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 92687692) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID92687692
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(C(=O)NC[C@H](C)c4ccccc4)cc(C)nc32)cc1
InChIInChI=1S/C25H26N4O/c1-16-10-12-21(13-11-16)29-24-23(19(4)28-29)22(14-18(3)27-24)25(30)26-15-17(2)20-8-6-5-7-9-20/h5-14,17H,15H2,1-4H3,(H,26,30)/t17-/m0/s1
InChIKeyOYPXLGJKZNRMIP-KRWDZBQOSA-N
XLogP4.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17026180
1-(3-chloro-2-methylphenyl)-3,6-dimethyl-N-[(2S)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 92692683
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854062
3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863832
3,6-dimethyl-1-(4-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20901457
N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51851727
3,6-dimethyl-1-phenyl-N-(2-pyrazol-1-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588387
3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588547
N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927951
N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55588598

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 92687692) is 3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1ccc(-n2nc(C)c3c(C(=O)NC[C@H](C)c4ccccc4)cc(C)nc32)cc1.
What is the InChIKey of 3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is OYPXLGJKZNRMIP-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H26N4O/c1-16-10-12-21(13-11-16)29-24-23(19(4)28-29)22(14-18(3)27-24)25(30)26-15-17(2)20-8-6-5-7-9-20/h5-14,17H,15H2,1-4H3,(H,26,30)/t17-/m0/s1.
What are the key properties of 3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 92687692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).