1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C19H17N5OS — CID 36931909

IUPAC1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccccn3)cc(-c3cccs3)nc21
InChIInChI=1S/C19H17N5OS/c1-12(2)24-18-14(11-21-24)13(10-15(22-18)16-6-5-9-26-16)19(25)23-17-7-3-4-8-20-17/h3-12H,1-2H3,(H,20,23,25)
InChIKeyZBXQJUDGXUEWEG-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.39
Rot. Bonds4

About 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 36931909) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID36931909
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccccn3)cc(-c3cccs3)nc21
InChIInChI=1S/C19H17N5OS/c1-12(2)24-18-14(11-21-24)13(10-15(22-18)16-6-5-9-26-16)19(25)23-17-7-3-4-8-20-17/h3-12H,1-2H3,(H,20,23,25)
InChIKeyZBXQJUDGXUEWEG-UHFFFAOYSA-N
XLogP4.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 36931909) is 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3ccccn3)cc(-c3cccs3)nc21.
What is the InChIKey of 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZBXQJUDGXUEWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-12(2)24-18-14(11-21-24)13(10-15(22-18)16-6-5-9-26-16)19(25)23-17-7-3-4-8-20-17/h3-12H,1-2H3,(H,20,23,25).
What are the key properties of 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 36931909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).