2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate

C135H155Br4N43O17 — CID 161310598

About 2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate

2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate (PubChem CID 161310598) has the molecular formula C135H155Br4N43O17 and a molecular weight of 2971.62 g/mol. Its IUPAC name is 2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: 2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate
• PubChem CID: 161310598
• Molecular Formula: C135H155Br4N43O17
• Molecular Weight: 2971.62 g/mol
• Exact Mass: 2965.93
• IUPAC Name: 2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate
• SMILES: CC(C)(C)OC(=O)Nc1cn2c(-n3cccn3)cc(Br)cc2n1.CCNC(=O)Nc1cn2c(-n3cccn3)cc(-c3cnc(N4CCC(CC)(C(=O)O)CC4)nc3)cc2n1.CCNC(=O)Nc1cn2c(-n3cccn3)cc(-c3cnc(N4CCC(CC)(C(=O)OCC)CC4)nc3)cc2n1.CCOC(=O)C1(CC)CCN(c2ncc(-c3cc(-n4cccn4)n4cc(NC(=O)OC(C)(C)C)nc4c3)cn2)CC1.CCOC(=O)C1(CC)CCN(c2ncc(Br)cn2)CC1.CCOC(=O)c1cn2c(-n3cccn3)cc(Br)cc2n1.NCC(=O)c1cn2c(-n3cccn3)cc(Br)cc2n1
• InChI: InChI=1S/C29H36N8O4.C27H33N9O3.C25H29N9O3.C15H16BrN5O2.C14H20BrN3O2.C13H11BrN4O2.C12H10BrN5O/c1-6-29(25(38)40-7-2)9-13-35(14-10-29)26-30-17-21(18-31-26)20-15-23-33-22(34-27(39)41-28(3,4)5)19-36(23)24(16-20)37-12-8-11-32-37;1-4-27(24(37)39-6-3)8-12-34(13-9-27)25-29-16-20(17-30-25)19-14-22-32-21(33-26(38)28-5-2)18-35(22)23(15-19)36-11-7-10-31-36;1-3-25(22(35)36)6-10-32(11-7-25)23-27-14-18(15-28-23)17-12-20-30-19(31-24(37)26-4-2)16-33(20)21(13-17)34-9-5-8-29-34;1-15(2,3)23-14(22)19-11-9-20-12(18-11)7-10(16)8-13(20)21-6-4-5-17-21;1-3-14(12(19)20-4-2)5-7-18(8-6-14)13-16-9-11(15)10-17-13;1-2-20-13(19)10-8-17-11(16-10)6-9(14)7-12(17)18-5-3-4-15-18;13-8-4-11-16-9(10(19)6-14)7-17(11)12(5-8)18-3-1-2-15-18/h8,11-12,15-19H,6-7,9-10,13-14H2,1-5H3,(H,34,39);7,10-11,14-18H,4-6,8-9,12-13H2,1-3H3,(H2,28,33,38);5,8-9,12-16H,3-4,6-7,10-11H2,1-2H3,(H,35,36)(H2,26,31,37);4-9H,1-3H3,(H,19,22);9-10H,3-8H2,1-2H3;3-8H,2H2,1H3;1-5,7H,6,14H2
• InChIKey: VIVJAAIYSMDCME-UHFFFAOYSA-N
• XLogP: 22.07
• TPSA: 671.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 53
• Rotatable Bonds: 34
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2971.62
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate?

The IUPAC name of 2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate (CID 161310598) is 2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate.

What is the SMILES notation for 2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate?

The canonical SMILES for 2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate is CC(C)(C)OC(=O)Nc1cn2c(-n3cccn3)cc(Br)cc2n1.CCNC(=O)Nc1cn2c(-n3cccn3)cc(-c3cnc(N4CCC(CC)(C(=O)O)CC4)nc3)cc2n1.CCNC(=O)Nc1cn2c(-n3cccn3)cc(-c3cnc(N4CCC(CC)(C(=O)OCC)CC4)nc3)cc2n1.CCOC(=O)C1(CC)CCN(c2ncc(-c3cc(-n4cccn4)n4cc(NC(=O)OC(C)(C)C)nc4c3)cn2)CC1.CCOC(=O)C1(CC)CCN(c2ncc(Br)cn2)CC1.CCOC(=O)c1cn2c(-n3cccn3)cc(Br)cc2n1.NCC(=O)c1cn2c(-n3cccn3)cc(Br)cc2n1.

What is the InChIKey of 2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate?

The InChIKey is VIVJAAIYSMDCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8O4.C27H33N9O3.C25H29N9O3.C15H16BrN5O2.C14H20BrN3O2.C13H11BrN4O2.C12H10BrN5O/c1-6-29(25(38)40-7-2)9-13-35(14-10-29)26-30-17-21(18-31-26)20-15-23-33-22(34-27(39)41-28(3,4)5)19-36(23)24(16-20)37-12-8-11-32-37;1-4-27(24(37)39-6-3)8-12-34(13-9-27)25-29-16-20(17-30-25)19-14-22-32-21(33-26(38)28-5-2)18-35(22)23(15-19)36-11-7-10-31-36;1-3-25(22(35)36)6-10-32(11-7-25)23-27-14-18(15-28-23)17-12-20-30-19(31-24(37)26-4-2)16-33(20)21(13-17)34-9-5-8-29-34;1-15(2,3)23-14(22)19-11-9-20-12(18-11)7-10(16)8-13(20)21-6-4-5-17-21;1-3-14(12(19)20-4-2)5-7-18(8-6-14)13-16-9-11(15)10-17-13;1-2-20-13(19)10-8-17-11(16-10)6-9(14)7-12(17)18-5-3-4-15-18;13-8-4-11-16-9(10(19)6-14)7-17(11)12(5-8)18-3-1-2-15-18/h8,11-12,15-19H,6-7,9-10,13-14H2,1-5H3,(H,34,39);7,10-11,14-18H,4-6,8-9,12-13H2,1-3H3,(H2,28,33,38);5,8-9,12-16H,3-4,6-7,10-11H2,1-2H3,(H,35,36)(H2,26,31,37);4-9H,1-3H3,(H,19,22);9-10H,3-8H2,1-2H3;3-8H,2H2,1H3;1-5,7H,6,14H2.

What are the key properties of 2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate?

2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate has a molecular weight of 2971.62 g/mol, XLogP of 22.07, 34 rotatable bonds, 8 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)ethanone;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 1-(5-bromopyrimidin-2-yl)-4-ethylpiperidine-4-carboxylate;4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;ethyl 4-ethyl-1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate;ethyl 4-ethyl-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 161310598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).