4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide

C20H25N7O2 — CID 172551748

About 4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide

4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide (PubChem CID 172551748) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
• PubChem CID: 172551748
• Molecular Formula: C20H25N7O2
• Molecular Weight: 395.47 g/mol
• Exact Mass: 395.21
• IUPAC Name: 4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
• SMILES: CCOc1nc(N2CCC(NC)C2)ncc1C(=O)Nc1ccc2nc(C)cn2c1
• InChI: InChI=1S/C20H25N7O2/c1-4-29-19-16(9-22-20(25-19)26-8-7-14(11-26)21-3)18(28)24-15-5-6-17-23-13(2)10-27(17)12-15/h5-6,9-10,12,14,21H,4,7-8,11H2,1-3H3,(H,24,28)
• InChIKey: HIRQXLMIXMELBE-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 96.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.47
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?

The IUPAC name of 4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide (CID 172551748) is 4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide.

What is the SMILES notation for 4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?

The canonical SMILES for 4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide is CCOc1nc(N2CCC(NC)C2)ncc1C(=O)Nc1ccc2nc(C)cn2c1.

What is the InChIKey of 4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?

The InChIKey is HIRQXLMIXMELBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-4-29-19-16(9-22-20(25-19)26-8-7-14(11-26)21-3)18(28)24-15-5-6-17-23-13(2)10-27(17)12-15/h5-6,9-10,12,14,21H,4,7-8,11H2,1-3H3,(H,24,28).

What are the key properties of 4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?

4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 172551748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).