bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide)

C80H68N12O8S4 — CID 158740462

About bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide)

bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide) (PubChem CID 158740462) has the molecular formula C80H68N12O8S4 and a molecular weight of 1453.77 g/mol. Its IUPAC name is bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide).

Molecular Properties

• Compound Name: bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide)
• PubChem CID: 158740462
• Molecular Formula: C80H68N12O8S4
• Molecular Weight: 1453.77 g/mol
• Exact Mass: 1452.42
• IUPAC Name: bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide)
• SMILES: Cc1ccc(-c2cc3c(CC4=COC=CC4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(CC4=COC=CC4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(CC4=COCC=C4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(CC4=COCC=C4)nnc(C(N)=O)c3s2)cc1
• InChI: InChI=1S/4C20H17N3O2S/c4*1-12-4-6-14(7-5-12)17-10-15-16(9-13-3-2-8-25-11-13)22-23-18(20(21)24)19(15)26-17/h2*2,4-8,10-11H,3,9H2,1H3,(H2,21,24);2*2-7,10-11H,8-9H2,1H3,(H2,21,24)
• InChIKey: IMFPRVATIIVZEN-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 312.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1453.77
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide)?

The IUPAC name of bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide) (CID 158740462) is bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide).

What is the SMILES notation for bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide)?

The canonical SMILES for bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide) is Cc1ccc(-c2cc3c(CC4=COC=CC4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(CC4=COC=CC4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(CC4=COCC=C4)nnc(C(N)=O)c3s2)cc1.Cc1ccc(-c2cc3c(CC4=COCC=C4)nnc(C(N)=O)c3s2)cc1.

What is the InChIKey of bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide)?

The InChIKey is IMFPRVATIIVZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H17N3O2S/c4*1-12-4-6-14(7-5-12)17-10-15-16(9-13-3-2-8-25-11-13)22-23-18(20(21)24)19(15)26-17/h2*2,4-8,10-11H,3,9H2,1H3,(H2,21,24);2*2-7,10-11H,8-9H2,1H3,(H2,21,24).

What are the key properties of bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide)?

bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide) has a molecular weight of 1453.77 g/mol, XLogP of 15.81, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(4-methylphenyl)-4-(2H-pyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide) is sourced from PubChem (CID 158740462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).