5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

C20H24N6O4S2 — CID 16623146

About 5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 16623146) has the molecular formula C20H24N6O4S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
• PubChem CID: 16623146
• Molecular Formula: C20H24N6O4S2
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.13
• IUPAC Name: 5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
• SMILES: Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)CC1
• InChI: InChI=1S/C20H24N6O4S2/c1-11-16-14(10-15(13-4-5-13)22-17(16)24(3)23-11)18(27)25-6-8-26(9-7-25)32(29,30)19-12(2)21-20(28)31-19/h10,13H,4-9H2,1-3H3,(H,21,28)
• InChIKey: YRWFBZWAODVSJH-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 121.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?

The IUPAC name of 5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one (CID 16623146) is 5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one.

What is the SMILES notation for 5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?

The canonical SMILES for 5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)CC1.

What is the InChIKey of 5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?

The InChIKey is YRWFBZWAODVSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4S2/c1-11-16-14(10-15(13-4-5-13)22-17(16)24(3)23-11)18(27)25-6-8-26(9-7-25)32(29,30)19-12(2)21-20(28)31-19/h10,13H,4-9H2,1-3H3,(H,21,28).

What are the key properties of 5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?

5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 476.58 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 16623146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).