N-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H19N5O2S — CID 24581405

IUPACN-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3cccc(C(N)=O)c3)cc(-c3cccs3)nc21
InChIInChI=1S/C21H19N5O2S/c1-12(2)26-20-16(11-23-26)15(10-17(25-20)18-7-4-8-29-18)21(28)24-14-6-3-5-13(9-14)19(22)27/h3-12H,1-2H3,(H2,22,27)(H,24,28)
InChIKeyZNJYMAJXIKSAPB-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.09
Rot. Bonds5

About N-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24581405) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24581405
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3cccc(C(N)=O)c3)cc(-c3cccs3)nc21
InChIInChI=1S/C21H19N5O2S/c1-12(2)26-20-16(11-23-26)15(10-17(25-20)18-7-4-8-29-18)21(28)24-14-6-3-5-13(9-14)19(22)27/h3-12H,1-2H3,(H2,22,27)(H,24,28)
InChIKeyZNJYMAJXIKSAPB-UHFFFAOYSA-N
XLogP4.09
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 24581405) is N-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3cccc(C(N)=O)c3)cc(-c3cccs3)nc21.
What is the InChIKey of N-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZNJYMAJXIKSAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-12(2)26-20-16(11-23-26)15(10-17(25-20)18-7-4-8-29-18)21(28)24-14-6-3-5-13(9-14)19(22)27/h3-12H,1-2H3,(H2,22,27)(H,24,28).
What are the key properties of N-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24581405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).