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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine

C48H47ClF4N10O4 — CID 160971438

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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine

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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine (PubChem CID 160971438) has the molecular formula C48H47ClF4N10O4 and a molecular weight of 939.41 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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine.

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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine
• PubChem CID: 160971438
• Molecular Formula: C48H47ClF4N10O4
• Molecular Weight: 939.41 g/mol
• Exact Mass: 938.34
• 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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine
• SMILES: CCC[C@H](N)c1ccc(F)cc1.CCC[C@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1C(=O)OCC)c1ccc(F)cc1.CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1Cl
• InChI: InChI=1S/C24H23F2N5O2.C14H10ClFN4O2.C10H14FN/c1-3-5-19(15-6-8-16(25)9-7-15)29-22-18(24(32)33-4-2)12-28-23(30-22)20-13-27-21-11-10-17(26)14-31(20)21;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;1-2-3-10(12)8-4-6-9(11)7-5-8/h6-14,19H,3-5H2,1-2H3,(H,28,29,30);3-7H,2H2,1H3;4-7,10H,2-3,12H2,1H3/t19-;;10-/m0.0/s1
• InChIKey: SYHPJOFPHJTTGD-HHWAPDMXSA-N
• XLogP: 10.59
• TPSA: 176.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	939.41
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine?

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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine (CID 160971438) 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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine.

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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine?

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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine is CCC[C@H](N)c1ccc(F)cc1.CCC[C@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1C(=O)OCC)c1ccc(F)cc1.CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.

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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine?

The InChIKey is SYHPJOFPHJTTGD-HHWAPDMXSA-N. The full InChI is InChI=1S/C24H23F2N5O2.C14H10ClFN4O2.C10H14FN/c1-3-5-19(15-6-8-16(25)9-7-15)29-22-18(24(32)33-4-2)12-28-23(30-22)20-13-27-21-11-10-17(26)14-31(20)21;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;1-2-3-10(12)8-4-6-9(11)7-5-8/h6-14,19H,3-5H2,1-2H3,(H,28,29,30);3-7H,2H2,1H3;4-7,10H,2-3,12H2,1H3/t19-;;10-/m0.0/s1.

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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine?

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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine has a molecular weight of 939.41 g/mol, XLogP of 10.59, 14 rotatable bonds, 2 hydrogen bond donors, and 14 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-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxylate;(1S)-1-(4-fluorophenyl)butan-1-amine is sourced from PubChem (CID 160971438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).