7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide

C25H25N7O4S2 — CID 167646331

About 7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide

7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 167646331) has the molecular formula C25H25N7O4S2 and a molecular weight of 551.65 g/mol. Its IUPAC name is 7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: 7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide
• PubChem CID: 167646331
• Molecular Formula: C25H25N7O4S2
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.14
• IUPAC Name: 7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide
• SMILES: CCCNc1nc(Nc2cc(-c3csc4c(=O)cc(N5CCOCC5)oc34)cs2)c(C(N)=O)c2nccn12
• InChI: InChI=1S/C25H25N7O4S2/c1-2-3-28-25-30-23(19(22(26)34)24-27-4-5-32(24)25)29-17-10-14(12-37-17)15-13-38-21-16(33)11-18(36-20(15)21)31-6-8-35-9-7-31/h4-5,10-13,29H,2-3,6-9H2,1H3,(H2,26,34)(H,28,30)
• InChIKey: HJEHOJWJPUOIKX-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 140.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide?

The IUPAC name of 7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide (CID 167646331) is 7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide.

What is the SMILES notation for 7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide?

The canonical SMILES for 7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide is CCCNc1nc(Nc2cc(-c3csc4c(=O)cc(N5CCOCC5)oc34)cs2)c(C(N)=O)c2nccn12.

What is the InChIKey of 7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide?

The InChIKey is HJEHOJWJPUOIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O4S2/c1-2-3-28-25-30-23(19(22(26)34)24-27-4-5-32(24)25)29-17-10-14(12-37-17)15-13-38-21-16(33)11-18(36-20(15)21)31-6-8-35-9-7-31/h4-5,10-13,29H,2-3,6-9H2,1H3,(H2,26,34)(H,28,30).

What are the key properties of 7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide?

7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 551.65 g/mol, XLogP of 4.13, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-2-yl]amino]-5-(propylamino)imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 167646331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).