1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide

C19H16N6O3S — CID 78839468

IUPAC1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cnc4c(c3)c(C)nn4C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16N6O3S/c1-10-4-5-12(7-16(10)25(27)28)15-9-29-19(21-15)22-18(26)13-6-14-11(2)23-24(3)17(14)20-8-13/h4-9H,1-3H3,(H,21,22,26)
InChIKeyTUMFRGXIEARKAH-UHFFFAOYSA-N
MW408.44 g/mol
LogP3.87
Rot. Bonds4

About 1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide

1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78839468) has the molecular formula C19H16N6O3S and a molecular weight of 408.44 g/mol. Its IUPAC name is 1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78839468
Molecular FormulaC19H16N6O3S
Molecular Weight408.44 g/mol
Exact Mass408.10
IUPAC Name1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cnc4c(c3)c(C)nn4C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16N6O3S/c1-10-4-5-12(7-16(10)25(27)28)15-9-29-19(21-15)22-18(26)13-6-14-11(2)23-24(3)17(14)20-8-13/h4-9H,1-3H3,(H,21,22,26)
InChIKeyTUMFRGXIEARKAH-UHFFFAOYSA-N
XLogP3.87
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78865591
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 86913456
4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 134041748
3-methoxy-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 134041751
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55870173
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 86952683
2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 134041759
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17404606
3-(diethylsulfamoyl)-4-methyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55469004
N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine
CID 9011754
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 55468616
3-(dimethylsulfamoyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55468913

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide (CID 78839468) is 1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1ccc(-c2csc(NC(=O)c3cnc4c(c3)c(C)nn4C)n2)cc1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is TUMFRGXIEARKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3S/c1-10-4-5-12(7-16(10)25(27)28)15-9-29-19(21-15)22-18(26)13-6-14-11(2)23-24(3)17(14)20-8-13/h4-9H,1-3H3,(H,21,22,26).
What are the key properties of 1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78839468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).