6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H23N5O3 — CID 77465628

IUPAC6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C20H23N5O3/c1-10(2)25-18-16(9-22-25)14(7-17(24-18)13(5)26)19(27)21-8-15-11(3)6-12(4)23-20(15)28/h6-7,9-10,15H,8H2,1-5H3,(H,21,27)
InChIKeyLXMWNMQHZCSQBI-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.51
Rot. Bonds5

About 6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 77465628) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID77465628
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C20H23N5O3/c1-10(2)25-18-16(9-22-25)14(7-17(24-18)13(5)26)19(27)21-8-15-11(3)6-12(4)23-20(15)28/h6-7,9-10,15H,8H2,1-5H3,(H,21,27)
InChIKeyLXMWNMQHZCSQBI-UHFFFAOYSA-N
XLogP2.51
TPSA106.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4,6-dicarboxamide
CID 77464569
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 73386288
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465769
6-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465727
6-[3-[[2-aminoethyl(methyl)amino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465595
6-[1-(3-amino-4-hydroxybutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465761
N-[[4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridin-3-yl]methyl]-1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 138404013
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide
CID 77465667
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 77426246
6-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 56714235
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828292

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 77465628) is 6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(=O)c1cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c2cnn(C(C)C)c2n1.
What is the InChIKey of 6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LXMWNMQHZCSQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-10(2)25-18-16(9-22-25)14(7-17(24-18)13(5)26)19(27)21-8-15-11(3)6-12(4)23-20(15)28/h6-7,9-10,15H,8H2,1-5H3,(H,21,27).
What are the key properties of 6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 77465628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).