2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride

C113H140BrCl7N31O20P — CID 161016961

About 2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride

2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride (PubChem CID 161016961) has the molecular formula C113H140BrCl7N31O20P and a molecular weight of 2611.61 g/mol. Its IUPAC name is 2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride.

Molecular Properties

• Compound Name: 2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride
• PubChem CID: 161016961
• Molecular Formula: C113H140BrCl7N31O20P
• Molecular Weight: 2611.61 g/mol
• Exact Mass: 2605.76
• IUPAC Name: 2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc(-c3cnc4cc(C(N)=O)ccn34)n2)C1.CCOC(CBr)OCC.CO.COC(=O)c1ccn2c(-c3cncc(Cl)n3)cnc2c1.COC(=O)c1ccn2c(-c3cncc(N[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n3)cnc2c1.COC(=O)c1ccn2ccnc2c1.COC(=O)c1ccnc(N)c1.Cl.Clc1cncc(Cl)n1.NC(=O)c1ccn2c(-c3cncc(NC4CCCCC4)n3)cnc2c1.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C23H28N6O4.C22H27N7O3.C18H20N6O.C13H9ClN4O2.C10H20N2O2.C9H8N2O2.C7H8N2O2.C6H13BrO2.C4H2Cl2N2.CH4O.Cl3OP.ClH/c1-23(2,3)33-22(31)28-8-5-6-16(14-28)26-19-13-24-11-17(27-19)18-12-25-20-10-15(21(30)32-4)7-9-29(18)20;1-22(2,3)32-21(31)28-7-4-5-15(13-28)26-18-12-24-10-16(27-18)17-11-25-19-9-14(20(23)30)6-8-29(17)19;19-18(25)12-6-7-24-15(10-21-17(24)8-12)14-9-20-11-16(23-14)22-13-4-2-1-3-5-13;1-20-13(19)8-2-3-18-10(6-16-12(18)4-8)9-5-15-7-11(14)17-9;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-13-9(12)7-2-4-11-5-3-10-8(11)6-7;1-11-7(10)5-2-3-9-6(8)4-5;1-3-8-6(5-7)9-4-2;5-3-1-7-2-4(6)8-3;1-2;1-5(2,3)4;/h7,9-13,16H,5-6,8,14H2,1-4H3,(H,26,27);6,8-12,15H,4-5,7,13H2,1-3H3,(H2,23,30)(H,26,27);6-11,13H,1-5H2,(H2,19,25)(H,22,23);2-7H,1H3;8H,4-7,11H2,1-3H3;2-6H,1H3;2-4H,1H3,(H2,8,9);6H,3-5H2,1-2H3;1-2H;2H,1H3;;1H/t16-;15-;;;8-;;;;;;;/m11..1......./s1
• InChIKey: WJOUSYYJGHQODZ-DWKKUNAXSA-N
• XLogP: 20.28
• TPSA: 652.18 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 46
• Rotatable Bonds: 21
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2611.61
LogP ≤ 5	20.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride?

The IUPAC name of 2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride (CID 161016961) is 2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride.

What is the SMILES notation for 2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride?

The canonical SMILES for 2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride is CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc(-c3cnc4cc(C(N)=O)ccn34)n2)C1.CCOC(CBr)OCC.CO.COC(=O)c1ccn2c(-c3cncc(Cl)n3)cnc2c1.COC(=O)c1ccn2c(-c3cncc(N[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n3)cnc2c1.COC(=O)c1ccn2ccnc2c1.COC(=O)c1ccnc(N)c1.Cl.Clc1cncc(Cl)n1.NC(=O)c1ccn2c(-c3cncc(NC4CCCCC4)n3)cnc2c1.O=P(Cl)(Cl)Cl.

What is the InChIKey of 2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride?

The InChIKey is WJOUSYYJGHQODZ-DWKKUNAXSA-N. The full InChI is InChI=1S/C23H28N6O4.C22H27N7O3.C18H20N6O.C13H9ClN4O2.C10H20N2O2.C9H8N2O2.C7H8N2O2.C6H13BrO2.C4H2Cl2N2.CH4O.Cl3OP.ClH/c1-23(2,3)33-22(31)28-8-5-6-16(14-28)26-19-13-24-11-17(27-19)18-12-25-20-10-15(21(30)32-4)7-9-29(18)20;1-22(2,3)32-21(31)28-7-4-5-15(13-28)26-18-12-24-10-16(27-18)17-11-25-19-9-14(20(23)30)6-8-29(17)19;19-18(25)12-6-7-24-15(10-21-17(24)8-12)14-9-20-11-16(23-14)22-13-4-2-1-3-5-13;1-20-13(19)8-2-3-18-10(6-16-12(18)4-8)9-5-15-7-11(14)17-9;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-13-9(12)7-2-4-11-5-3-10-8(11)6-7;1-11-7(10)5-2-3-9-6(8)4-5;1-3-8-6(5-7)9-4-2;5-3-1-7-2-4(6)8-3;1-2;1-5(2,3)4;/h7,9-13,16H,5-6,8,14H2,1-4H3,(H,26,27);6,8-12,15H,4-5,7,13H2,1-3H3,(H2,23,30)(H,26,27);6-11,13H,1-5H2,(H2,19,25)(H,22,23);2-7H,1H3;8H,4-7,11H2,1-3H3;2-6H,1H3;2-4H,1H3,(H2,8,9);6H,3-5H2,1-2H3;1-2H;2H,1H3;;1H/t16-;15-;;;8-;;;;;;;/m11..1......./s1.

What are the key properties of 2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride?

2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride has a molecular weight of 2611.61 g/mol, XLogP of 20.28, 21 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1,1-diethoxyethane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(7-carbamoylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;3-[6-(cyclohexylamino)pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxamide;2,6-dichloropyrazine;methanol;methyl 2-aminopyridine-4-carboxylate;methyl 3-(6-chloropyrazin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-[6-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyridine-7-carboxylate;phosphoryl trichloride;hydrochloride is sourced from PubChem (CID 161016961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).