N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide

C13H13N5OS — CID 62045495

IUPACN-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cscn3)cnc21
InChIInChI=1S/C13H13N5OS/c1-8(2)18-12-9(4-16-18)3-10(5-14-12)17-13(19)11-6-20-7-15-11/h3-8H,1-2H3,(H,17,19)
InChIKeySBOCCSDZBZVBIU-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.72
Rot. Bonds3

About N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide

N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 62045495) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID62045495
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC NameN-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cscn3)cnc21
InChIInChI=1S/C13H13N5OS/c1-8(2)18-12-9(4-16-18)3-10(5-14-12)17-13(19)11-6-20-7-15-11/h3-8H,1-2H3,(H,17,19)
InChIKeySBOCCSDZBZVBIU-UHFFFAOYSA-N
XLogP2.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide (CID 62045495) is N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide is CC(C)n1ncc2cc(NC(=O)c3cscn3)cnc21.
What is the InChIKey of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is SBOCCSDZBZVBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-8(2)18-12-9(4-16-18)3-10(5-14-12)17-13(19)11-6-20-7-15-11/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 287.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62045495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).