2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

C12H14N4O3S — CID 22988019

About 2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 22988019) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
• PubChem CID: 22988019
• Molecular Formula: C12H14N4O3S
• Molecular Weight: 294.34 g/mol
• Exact Mass: 294.08
• IUPAC Name: 2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
• SMILES: CN1N=C2CCN(C(=O)O)CC2(Cc2cscn2)C1=O
• InChI: InChI=1S/C12H14N4O3S/c1-15-10(17)12(4-8-5-20-7-13-8)6-16(11(18)19)3-2-9(12)14-15/h5,7H,2-4,6H2,1H3,(H,18,19)
• InChIKey: HGSZXRHTOSVIJQ-UHFFFAOYSA-N
• XLogP: 0.88
• TPSA: 86.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.34
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?

The IUPAC name of 2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 22988019) is 2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.

What is the SMILES notation for 2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?

The canonical SMILES for 2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is CN1N=C2CCN(C(=O)O)CC2(Cc2cscn2)C1=O.

What is the InChIKey of 2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?

The InChIKey is HGSZXRHTOSVIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-15-10(17)12(4-8-5-20-7-13-8)6-16(11(18)19)3-2-9(12)14-15/h5,7H,2-4,6H2,1H3,(H,18,19).

What are the key properties of 2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?

2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 294.34 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-oxo-3a-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 22988019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).