tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine

C58H65Cl4F3N18O4 — CID 158597682

About tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine (PubChem CID 158597682) has the molecular formula C58H65Cl4F3N18O4 and a molecular weight of 1277.09 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine
• PubChem CID: 158597682
• Molecular Formula: C58H65Cl4F3N18O4
• Molecular Weight: 1277.09 g/mol
• Exact Mass: 1274.41
• IUPAC Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine
• SMILES: CC(C)(C)OC(=O)N1CCCC(Nc2nc(-c3cnc4ccc(F)cn34)ncc2Cl)C1.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.Fc1ccc2ncc(-c3ncc(Cl)c(Cl)n3)n2c1.Fc1ccc2ncc(-c3ncc(Cl)c(NC4CCCNC4)n3)n2c1
• InChI: InChI=1S/C21H24ClFN6O2.C16H16ClFN6.C11H5Cl2FN4.C10H20N2O2/c1-21(2,3)31-20(30)28-8-4-5-14(12-28)26-18-15(22)9-25-19(27-18)16-10-24-17-7-6-13(23)11-29(16)17;17-12-7-21-16(23-15(12)22-11-2-1-5-19-6-11)13-8-20-14-4-3-10(18)9-24(13)14;12-7-3-16-11(17-10(7)13)8-4-15-9-2-1-6(14)5-18(8)9;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-7,9-11,14H,4-5,8,12H2,1-3H3,(H,25,26,27);3-4,7-9,11,19H,1-2,5-6H2,(H,21,22,23);1-5H;8H,4-7,11H2,1-3H3/t;;;8-/m...1/s1
• InChIKey: HVFVRJJVHOUFMU-VTCFWQDTSA-N
• XLogP: 11.72
• TPSA: 250.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1277.09
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine?

The IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine (CID 158597682) is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine.

What is the SMILES notation for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine?

The canonical SMILES for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine is CC(C)(C)OC(=O)N1CCCC(Nc2nc(-c3cnc4ccc(F)cn34)ncc2Cl)C1.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.Fc1ccc2ncc(-c3ncc(Cl)c(Cl)n3)n2c1.Fc1ccc2ncc(-c3ncc(Cl)c(NC4CCCNC4)n3)n2c1.

What is the InChIKey of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine?

The InChIKey is HVFVRJJVHOUFMU-VTCFWQDTSA-N. The full InChI is InChI=1S/C21H24ClFN6O2.C16H16ClFN6.C11H5Cl2FN4.C10H20N2O2/c1-21(2,3)31-20(30)28-8-4-5-14(12-28)26-18-15(22)9-25-19(27-18)16-10-24-17-7-6-13(23)11-29(16)17;17-12-7-21-16(23-15(12)22-11-2-1-5-19-6-11)13-8-20-14-4-3-10(18)9-24(13)14;12-7-3-16-11(17-10(7)13)8-4-15-9-2-1-6(14)5-18(8)9;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-7,9-11,14H,4-5,8,12H2,1-3H3,(H,25,26,27);3-4,7-9,11,19H,1-2,5-6H2,(H,21,22,23);1-5H;8H,4-7,11H2,1-3H3/t;;;8-/m...1/s1.

What are the key properties of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine?

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine has a molecular weight of 1277.09 g/mol, XLogP of 11.72, 7 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-piperidin-3-ylpyrimidin-4-amine;3-(4,5-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine is sourced from PubChem (CID 158597682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).