tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

C63H71N21O4 — CID 161282632

About tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 161282632) has the molecular formula C63H71N21O4 and a molecular weight of 1186.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
• PubChem CID: 161282632
• Molecular Formula: C63H71N21O4
• Molecular Weight: 1186.40 g/mol
• Exact Mass: 1185.60
• IUPAC Name: tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1.CN(c1ccnc(-c2cnc3ccc(C#N)cn23)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.CN(c1ccnc(-c2cnc3ccc(C#N)cn23)n1)[C@@H]1CCCNC1
• InChI: InChI=1S/C23H27N7O2.C22H25N7O2.C18H19N7/c1-23(2,3)32-22(31)29-11-5-6-17(15-29)28(4)20-9-10-25-21(27-20)18-13-26-19-8-7-16(12-24)14-30(18)19;1-22(2,3)31-21(30)28-10-4-5-16(14-28)26-18-8-9-24-20(27-18)17-12-25-19-7-6-15(11-23)13-29(17)19;1-24(14-3-2-7-20-10-14)17-6-8-21-18(23-17)15-11-22-16-5-4-13(9-19)12-25(15)16/h7-10,13-14,17H,5-6,11,15H2,1-4H3;6-9,12-13,16H,4-5,10,14H2,1-3H3,(H,24,26,27);4-6,8,11-12,14,20H,2-3,7,10H2,1H3/t17-;16-;14-/m111/s1
• InChIKey: VFHHARJXPUOSIN-RCGZPDEJSA-N
• XLogP: 8.82
• TPSA: 290.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1186.40
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?

The IUPAC name of tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 161282632) is tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.

What is the SMILES notation for tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?

The canonical SMILES for tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1.CN(c1ccnc(-c2cnc3ccc(C#N)cn23)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.CN(c1ccnc(-c2cnc3ccc(C#N)cn23)n1)[C@@H]1CCCNC1.

What is the InChIKey of tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?

The InChIKey is VFHHARJXPUOSIN-RCGZPDEJSA-N. The full InChI is InChI=1S/C23H27N7O2.C22H25N7O2.C18H19N7/c1-23(2,3)32-22(31)29-11-5-6-17(15-29)28(4)20-9-10-25-21(27-20)18-13-26-19-8-7-16(12-24)14-30(18)19;1-22(2,3)31-21(30)28-10-4-5-16(14-28)26-18-8-9-24-20(27-18)17-12-25-19-7-6-15(11-23)13-29(17)19;1-24(14-3-2-7-20-10-14)17-6-8-21-18(23-17)15-11-22-16-5-4-13(9-19)12-25(15)16/h7-10,13-14,17H,5-6,11,15H2,1-4H3;6-9,12-13,16H,4-5,10,14H2,1-3H3,(H,24,26,27);4-6,8,11-12,14,20H,2-3,7,10H2,1H3/t17-;16-;14-/m111/s1.

What are the key properties of tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?

tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 1186.40 g/mol, XLogP of 8.82, 9 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 161282632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).