ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine

C41H34ClF4N11O4 — CID 158286595

About ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine

ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine (PubChem CID 158286595) has the molecular formula C41H34ClF4N11O4 and a molecular weight of 856.24 g/mol. Its IUPAC name is ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine.

Molecular Properties

• Compound Name: ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine
• PubChem CID: 158286595
• Molecular Formula: C41H34ClF4N11O4
• Molecular Weight: 856.24 g/mol
• Exact Mass: 855.24
• IUPAC Name: ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine
• SMILES: CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1CCc1ccc(F)cn1.CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.NCc1ccc(F)cn1
• InChI: InChI=1S/C21H17F2N5O2.C14H10ClFN4O2.C6H7FN2/c1-2-30-21(29)16-10-26-20(18-11-25-19-8-4-14(23)12-28(18)19)27-17(16)7-6-15-5-3-13(22)9-24-15;1-2-22-14(21)9-5-18-13(19-12(9)15)10-6-17-11-4-3-8(16)7-20(10)11;7-5-1-2-6(3-8)9-4-5/h3-5,8-12H,2,6-7H2,1H3;3-7H,2H2,1H3;1-2,4H,3,8H2
• InChIKey: GKVVEZNQTGJBCA-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 190.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	856.24
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine?

The IUPAC name of ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine (CID 158286595) is ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine.

What is the SMILES notation for ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine?

The canonical SMILES for ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine is CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1CCc1ccc(F)cn1.CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.NCc1ccc(F)cn1.

What is the InChIKey of ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine?

The InChIKey is GKVVEZNQTGJBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2.C14H10ClFN4O2.C6H7FN2/c1-2-30-21(29)16-10-26-20(18-11-25-19-8-4-14(23)12-28(18)19)27-17(16)7-6-15-5-3-13(22)9-24-15;1-2-22-14(21)9-5-18-13(19-12(9)15)10-6-17-11-4-3-8(16)7-20(10)11;7-5-1-2-6(3-8)9-4-5/h3-5,8-12H,2,6-7H2,1H3;3-7H,2H2,1H3;1-2,4H,3,8H2.

What are the key properties of ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine?

ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine has a molecular weight of 856.24 g/mol, XLogP of 6.87, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate;ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate;(5-fluoro-2-pyridinyl)methanamine is sourced from PubChem (CID 158286595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).