4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C21H19N7OS — CID 59593033

About 4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 59593033) has the molecular formula C21H19N7OS and a molecular weight of 417.50 g/mol. Its IUPAC name is 4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
• PubChem CID: 59593033
• Molecular Formula: C21H19N7OS
• Molecular Weight: 417.50 g/mol
• Exact Mass: 417.14
• IUPAC Name: 4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
• SMILES: c1cc(-c2nc(N3CCOCC3)c3sc(Cn4ccnc4)cc3n2)c2cn[nH]c2c1
• InChI: InChI=1S/C21H19N7OS/c1-2-15(16-11-23-26-17(16)3-1)20-24-18-10-14(12-27-5-4-22-13-27)30-19(18)21(25-20)28-6-8-29-9-7-28/h1-5,10-11,13H,6-9,12H2,(H,23,26)
• InChIKey: ZFXWZPQVEOYLAR-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 84.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.50
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?

The IUPAC name of 4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 59593033) is 4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

What is the SMILES notation for 4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?

The canonical SMILES for 4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is c1cc(-c2nc(N3CCOCC3)c3sc(Cn4ccnc4)cc3n2)c2cn[nH]c2c1.

What is the InChIKey of 4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?

The InChIKey is ZFXWZPQVEOYLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7OS/c1-2-15(16-11-23-26-17(16)3-1)20-24-18-10-14(12-27-5-4-22-13-27)30-19(18)21(25-20)28-6-8-29-9-7-28/h1-5,10-11,13H,6-9,12H2,(H,23,26).

What are the key properties of 4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?

4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 417.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 59593033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).