6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C21H24N4O3S2 — CID 40897254

About 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 40897254) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 40897254
• Molecular Formula: C21H24N4O3S2
• Molecular Weight: 444.58 g/mol
• Exact Mass: 444.13
• IUPAC Name: 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)Cc3cccs3)c12
• InChI: InChI=1S/C21H24N4O3S2/c1-13-19-17(21(26)24(2)11-16-4-3-8-29-16)10-18(14-5-6-14)22-20(19)25(23-13)15-7-9-30(27,28)12-15/h3-4,8,10,14-15H,5-7,9,11-12H2,1-2H3/t15-/m1/s1
• InChIKey: YWLBHRPYOORGAP-OAHLLOKOSA-N
• XLogP: 3.31
• TPSA: 85.16 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.58
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 40897254) is 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)Cc3cccs3)c12.

What is the InChIKey of 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is YWLBHRPYOORGAP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-13-19-17(21(26)24(2)11-16-4-3-8-29-16)10-18(14-5-6-14)22-20(19)25(23-13)15-7-9-30(27,28)12-15/h3-4,8,10,14-15H,5-7,9,11-12H2,1-2H3/t15-/m1/s1.

What are the key properties of 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 40897254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).