1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H20N6O2 — CID 166199022

IUPAC1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)nc(=O)[nH]1
InChIInChI=1S/C25H20N6O2/c1-16-12-22(30-25(33)27-16)29-24(32)19-13-21(18-10-6-3-7-11-18)28-23-20(19)14-26-31(23)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H2,27,29,30,32,33)
InChIKeyYBPGHMDIBLTFGN-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.79
Rot. Bonds5

About 1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166199022) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166199022
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)nc(=O)[nH]1
InChIInChI=1S/C25H20N6O2/c1-16-12-22(30-25(33)27-16)29-24(32)19-13-21(18-10-6-3-7-11-18)28-23-20(19)14-26-31(23)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H2,27,29,30,32,33)
InChIKeyYBPGHMDIBLTFGN-UHFFFAOYSA-N
XLogP3.79
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(2-methylsulfonylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55535001
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167862830
N-(1-benzylpyrazol-4-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55982114
N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55635669
2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46696750
N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 41042469
[2-(2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46696785
1-ethyl-6-phenyl-N-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25400422
1-[(3-fluorophenyl)methyl]-N-(1-hydroxypropan-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 112818183
N-(2,4-dimethylphenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823079
N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26689268

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 166199022) is 1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)nc(=O)[nH]1.
What is the InChIKey of 1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YBPGHMDIBLTFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-16-12-22(30-25(33)27-16)29-24(32)19-13-21(18-10-6-3-7-11-18)28-23-20(19)14-26-31(23)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H2,27,29,30,32,33).
What are the key properties of 1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166199022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).