1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide

C18H19N5O3 — CID 167970135

IUPAC1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2cn(C)c3c(cnn3C)c2=O)c1
InChIInChI=1S/C18H19N5O3/c1-4-15(24)20-11-6-5-7-12(8-11)21-17(26)14-10-22(2)18-13(16(14)25)9-19-23(18)3/h5-10H,4H2,1-3H3,(H,20,24)(H,21,26)
InChIKeyPDILDPVFXVDUDA-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.87
Rot. Bonds4

About 1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide

1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 167970135) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID167970135
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2cn(C)c3c(cnn3C)c2=O)c1
InChIInChI=1S/C18H19N5O3/c1-4-15(24)20-11-6-5-7-12(8-11)21-17(26)14-10-22(2)18-13(16(14)25)9-19-23(18)3/h5-10H,4H2,1-3H3,(H,20,24)(H,21,26)
InChIKeyPDILDPVFXVDUDA-UHFFFAOYSA-N
XLogP1.87
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide (CID 167970135) is 1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide is CCC(=O)Nc1cccc(NC(=O)c2cn(C)c3c(cnn3C)c2=O)c1.
What is the InChIKey of 1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is PDILDPVFXVDUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-4-15(24)20-11-6-5-7-12(8-11)21-17(26)14-10-22(2)18-13(16(14)25)9-19-23(18)3/h5-10H,4H2,1-3H3,(H,20,24)(H,21,26).
What are the key properties of 1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-4-oxo-N-[3-(propanoylamino)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 167970135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).