N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C25H26N4O — CID 55588598

IUPACN-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C(c2ccccc2)c2ccccc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C25H26N4O/c1-16-15-21(23-18(3)28-29(4)24(23)26-16)25(30)27-17(2)22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,17,22H,1-4H3,(H,27,30)
InChIKeyOSRKDZXAIKSOPW-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.54
Rot. Bonds5

About N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55588598) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID55588598
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C(c2ccccc2)c2ccccc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C25H26N4O/c1-16-15-21(23-18(3)28-29(4)24(23)26-16)25(30)27-17(2)22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,17,22H,1-4H3,(H,27,30)
InChIKeyOSRKDZXAIKSOPW-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
1,3,6-trimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 26249415
N-[1-(4-fluorophenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621030
2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119223760
1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51646933
1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 91821502
N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86904109
1,3-dimethyl-6-phenyl-N-(1-pyridin-4-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51322660
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51537772
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 47019152
1,3,6-trimethyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31864419
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621924

Frequently Asked Questions

What is the IUPAC name of N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 55588598) is N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC(C)C(c2ccccc2)c2ccccc2)c2c(C)nn(C)c2n1.
What is the InChIKey of N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is OSRKDZXAIKSOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-16-15-21(23-18(3)28-29(4)24(23)26-16)25(30)27-17(2)22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,17,22H,1-4H3,(H,27,30).
What are the key properties of N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55588598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).