2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide

C22H24N6O2S — CID 24628588

About 2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide

2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide (PubChem CID 24628588) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide.

Molecular Properties

• Compound Name: 2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
• PubChem CID: 24628588
• Molecular Formula: C22H24N6O2S
• Molecular Weight: 436.54 g/mol
• Exact Mass: 436.17
• IUPAC Name: 2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
• SMILES: Cc1nc2ccccn2c1C(=O)NNC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C
• InChI: InChI=1S/C22H24N6O2S/c1-11-15-12(2)24-21(22(4,5)6)25-20(15)31-17(11)19(30)27-26-18(29)16-13(3)23-14-9-7-8-10-28(14)16/h7-10H,1-6H3,(H,26,29)(H,27,30)
• InChIKey: WYTZRXMFUXLUGY-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 101.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.54
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide?

The IUPAC name of 2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide (CID 24628588) is 2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide.

What is the SMILES notation for 2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide?

The canonical SMILES for 2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide is Cc1nc2ccccn2c1C(=O)NNC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C.

What is the InChIKey of 2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide?

The InChIKey is WYTZRXMFUXLUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-11-15-12(2)24-21(22(4,5)6)25-20(15)31-17(11)19(30)27-26-18(29)16-13(3)23-14-9-7-8-10-28(14)16/h7-10H,1-6H3,(H,26,29)(H,27,30).

What are the key properties of 2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide?

2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide has a molecular weight of 436.54 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 24628588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).