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

C25H25N5O2 — CID 86904109

IUPACN-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccccc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C25H25N5O2/c1-16-14-20(22-17(2)29-30(3)23(22)26-16)24(31)28-21(15-18-10-6-4-7-11-18)25(32)27-19-12-8-5-9-13-19/h4-14,21H,15H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyQGLKEXJSDMXLQS-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.56
Rot. Bonds6

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

N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 86904109) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID86904109
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccccc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C25H25N5O2/c1-16-14-20(22-17(2)29-30(3)23(22)26-16)24(31)28-21(15-18-10-6-4-7-11-18)25(32)27-19-12-8-5-9-13-19/h4-14,21H,15H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyQGLKEXJSDMXLQS-UHFFFAOYSA-N
XLogP3.56
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119223760
1,3,6-trimethyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31864419
N-(1,1-diphenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55588598
N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55857031
1,3,6-trimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 26249415
1,3,6-trimethyl-N-(4-propylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 24627619
1,3,6-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 86934701
1,3,6-trimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46456457
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
(2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 119366419
3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863832
N-[(3-chlorophenyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46514405

Frequently Asked Questions

What is the IUPAC name of N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 86904109) is N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccccc2)c2c(C)nn(C)c2n1.
What is the InChIKey of N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is QGLKEXJSDMXLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16-14-20(22-17(2)29-30(3)23(22)26-16)24(31)28-21(15-18-10-6-4-7-11-18)25(32)27-19-12-8-5-9-13-19/h4-14,21H,15H2,1-3H3,(H,27,32)(H,28,31).
What are the key properties of N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86904109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).