3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C11H12N4OS — CID 172638240

IUPAC3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ncsc1-n1nc(C)c2c1NC(=O)CC2
InChIInChI=1S/C11H12N4OS/c1-6-8-3-4-9(16)13-10(8)15(14-6)11-7(2)12-5-17-11/h5H,3-4H2,1-2H3,(H,13,16)
InChIKeyLMMGJQZLIBTMMG-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.83
Rot. Bonds1

About 3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 172638240) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID172638240
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ncsc1-n1nc(C)c2c1NC(=O)CC2
InChIInChI=1S/C11H12N4OS/c1-6-8-3-4-9(16)13-10(8)15(14-6)11-7(2)12-5-17-11/h5H,3-4H2,1-2H3,(H,13,16)
InChIKeyLMMGJQZLIBTMMG-UHFFFAOYSA-N
XLogP1.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 3238939
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 9116967
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 18192334
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 29413220
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 31247319
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 35340365
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 38308785
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 41549084
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 46525603
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 47044604
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51316028
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)propanamide
CID 55903630

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 172638240) is 3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1ncsc1-n1nc(C)c2c1NC(=O)CC2.
What is the InChIKey of 3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is LMMGJQZLIBTMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6-8-3-4-9(16)13-10(8)15(14-6)11-7(2)12-5-17-11/h5H,3-4H2,1-2H3,(H,13,16).
What are the key properties of 3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 248.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 172638240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).