5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide

C24H28N8O4 — CID 71015571

About 5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide

5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 71015571) has the molecular formula C24H28N8O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is 5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
• PubChem CID: 71015571
• Molecular Formula: C24H28N8O4
• Molecular Weight: 492.54 g/mol
• Exact Mass: 492.22
• IUPAC Name: 5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
• SMILES: COc1cc(Nc2nc(N(C)C3CCN(C(=O)CC#N)CC3)n3ccnc3c2C(N)=O)cc(OC)c1
• InChI: InChI=1S/C24H28N8O4/c1-30(16-5-9-31(10-6-16)19(33)4-7-25)24-29-22(20(21(26)34)23-27-8-11-32(23)24)28-15-12-17(35-2)14-18(13-15)36-3/h8,11-14,16,28H,4-6,9-10H2,1-3H3,(H2,26,34)
• InChIKey: RTGMDYIPYORHKJ-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 151.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.54
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?

The IUPAC name of 5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (CID 71015571) is 5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.

What is the SMILES notation for 5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?

The canonical SMILES for 5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is COc1cc(Nc2nc(N(C)C3CCN(C(=O)CC#N)CC3)n3ccnc3c2C(N)=O)cc(OC)c1.

What is the InChIKey of 5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?

The InChIKey is RTGMDYIPYORHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O4/c1-30(16-5-9-31(10-6-16)19(33)4-7-25)24-29-22(20(21(26)34)23-27-8-11-32(23)24)28-15-12-17(35-2)14-18(13-15)36-3/h8,11-14,16,28H,4-6,9-10H2,1-3H3,(H2,26,34).

What are the key properties of 5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?

5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-(2-cyanoacetyl)piperidin-4-yl]-methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 71015571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).