2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole

C16H22N4OS — CID 97413661

IUPAC2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole
SMILESC=CCOCc1nn(C(C)C)c2c1CCN(c1nccs1)C2
InChIInChI=1S/C16H22N4OS/c1-4-8-21-11-14-13-5-7-19(16-17-6-9-22-16)10-15(13)20(18-14)12(2)3/h4,6,9,12H,1,5,7-8,10-11H2,2-3H3
InChIKeyOHKNZLPOLSFWAI-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.19
Rot. Bonds6

About 2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole

2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole (PubChem CID 97413661) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole
PubChem CID97413661
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole
SMILESC=CCOCc1nn(C(C)C)c2c1CCN(c1nccs1)C2
InChIInChI=1S/C16H22N4OS/c1-4-8-21-11-14-13-5-7-19(16-17-6-9-22-16)10-15(13)20(18-14)12(2)3/h4,6,9,12H,1,5,7-8,10-11H2,2-3H3
InChIKeyOHKNZLPOLSFWAI-UHFFFAOYSA-N
XLogP3.19
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-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

Related Compounds

CID 97381637
CID 97381637
CID 118743692
CID 118743692
CID 97413660
CID 97413660
CID 97405813
CID 97405813
CID 97405819
CID 97405819
CID 97410183
CID 97410183

Frequently Asked Questions

What is the IUPAC name of 2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole?
The IUPAC name of 2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole (CID 97413661) is 2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole is C=CCOCc1nn(C(C)C)c2c1CCN(c1nccs1)C2.
What is the InChIKey of 2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole?
The InChIKey is OHKNZLPOLSFWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-4-8-21-11-14-13-5-7-19(16-17-6-9-22-16)10-15(13)20(18-14)12(2)3/h4,6,9,12H,1,5,7-8,10-11H2,2-3H3.
What are the key properties of 2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole?
2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole has a molecular weight of 318.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-propan-2-yl-3-(prop-2-enoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-1,3-thiazole is sourced from PubChem (CID 97413661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).