4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole

C17H21N5S — CID 110118585

IUPAC4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nn(C)c2nc(C3CCCN(Cc4cscn4)C3)ccc12
InChIInChI=1S/C17H21N5S/c1-12-15-5-6-16(19-17(15)21(2)20-12)13-4-3-7-22(8-13)9-14-10-23-11-18-14/h5-6,10-11,13H,3-4,7-9H2,1-2H3
InChIKeyAOWREGJRZHRUBM-UHFFFAOYSA-N
MW327.46 g/mol
LogP3.11
Rot. Bonds3

About 4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole

4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110118585) has the molecular formula C17H21N5S and a molecular weight of 327.46 g/mol. Its IUPAC name is 4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID110118585
Molecular FormulaC17H21N5S
Molecular Weight327.46 g/mol
Exact Mass327.15
IUPAC Name4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nn(C)c2nc(C3CCCN(Cc4cscn4)C3)ccc12
InChIInChI=1S/C17H21N5S/c1-12-15-5-6-16(19-17(15)21(2)20-12)13-4-3-7-22(8-13)9-14-10-23-11-18-14/h5-6,10-11,13H,3-4,7-9H2,1-2H3
InChIKeyAOWREGJRZHRUBM-UHFFFAOYSA-N
XLogP3.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole 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 4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 110118585) is 4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1nn(C)c2nc(C3CCCN(Cc4cscn4)C3)ccc12.
What is the InChIKey of 4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is AOWREGJRZHRUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5S/c1-12-15-5-6-16(19-17(15)21(2)20-12)13-4-3-7-22(8-13)9-14-10-23-11-18-14/h5-6,10-11,13H,3-4,7-9H2,1-2H3.
What are the key properties of 4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole?
4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 327.46 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110118585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).