(4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate

C16H18N4O2S — CID 75498066

IUPAC(4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCc1cc(C(=O)OCc2scnc2C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C16H18N4O2S/c1-9(2)20-15-13(6-18-20)12(5-10(3)19-15)16(21)22-7-14-11(4)17-8-23-14/h5-6,8-9H,7H2,1-4H3
InChIKeyNTICIHQZCWIQNQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.44
Rot. Bonds4

About (4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate

(4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 75498066) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID75498066
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCc1cc(C(=O)OCc2scnc2C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C16H18N4O2S/c1-9(2)20-15-13(6-18-20)12(5-10(3)19-15)16(21)22-7-14-11(4)17-8-23-14/h5-6,8-9H,7H2,1-4H3
InChIKeyNTICIHQZCWIQNQ-UHFFFAOYSA-N
XLogP3.44
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate 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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 46676102
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 41406540
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 41406113
[1-(carbamoylamino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 46675930
6-methyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 43044165
(1-oxo-1-phenylpropan-2-yl) 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 42928941
benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907534
6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119449551
cyanomethyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907541
6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828292
2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 120523353
2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120524365

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate (CID 75498066) is (4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate is Cc1cc(C(=O)OCc2scnc2C)c2cnn(C(C)C)c2n1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is NTICIHQZCWIQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-9(2)20-15-13(6-18-20)12(5-10(3)19-15)16(21)22-7-14-11(4)17-8-23-14/h5-6,8-9H,7H2,1-4H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
(4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 330.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 75498066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).