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

C61H69N21O5 — CID 161463945

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

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 161463945) has the molecular formula C61H69N21O5 and a molecular weight of 1176.36 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
• PubChem CID: 161463945
• Molecular Formula: C61H69N21O5
• Molecular Weight: 1176.36 g/mol
• Exact Mass: 1175.58
• IUPAC Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1.N#Cc1ccc2ncc(-c3nccc(=O)[nH]3)n2c1.N#Cc1ccc2ncc(-c3nccc(N[C@@H]4CCCNC4)n3)n2c1
• InChI: InChI=1S/C22H25N7O2.C17H17N7.C12H7N5O.C10H20N2O2/c1-22(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;18-8-12-3-4-16-21-10-14(24(16)11-12)17-20-7-5-15(23-17)22-13-2-1-6-19-9-13;13-5-8-1-2-10-15-6-9(17(10)7-8)12-14-4-3-11(18)16-12;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-9,12-13,16H,4-5,10,14H2,1-3H3,(H,24,26,27);3-5,7,10-11,13,19H,1-2,6,9H2,(H,20,22,23);1-4,6-7H,(H,14,16,18);8H,4-7,11H2,1-3H3/t16-;13-;;8-/m11.1/s1
• InChIKey: WCEHIAVRQANHBG-ZOGAZUCJSA-N
• XLogP: 7.60
• TPSA: 341.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 7
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1176.36
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 161463945) is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(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-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?

The canonical SMILES for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1.N#Cc1ccc2ncc(-c3nccc(=O)[nH]3)n2c1.N#Cc1ccc2ncc(-c3nccc(N[C@@H]4CCCNC4)n3)n2c1.

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

The InChIKey is WCEHIAVRQANHBG-ZOGAZUCJSA-N. The full InChI is InChI=1S/C22H25N7O2.C17H17N7.C12H7N5O.C10H20N2O2/c1-22(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;18-8-12-3-4-16-21-10-14(24(16)11-12)17-20-7-5-15(23-17)22-13-2-1-6-19-9-13;13-5-8-1-2-10-15-6-9(17(10)7-8)12-14-4-3-11(18)16-12;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-9,12-13,16H,4-5,10,14H2,1-3H3,(H,24,26,27);3-5,7,10-11,13,19H,1-2,6,9H2,(H,20,22,23);1-4,6-7H,(H,14,16,18);8H,4-7,11H2,1-3H3/t16-;13-;;8-/m11.1/s1.

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

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 1176.36 g/mol, XLogP of 7.60, 7 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 161463945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).