1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate

C91H105Br3N32O11 — CID 158349222

About 1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate

1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate (PubChem CID 158349222) has the molecular formula C91H105Br3N32O11 and a molecular weight of 2062.77 g/mol. Its IUPAC name is 1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate.

Molecular Properties

• Compound Name: 1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate
• PubChem CID: 158349222
• Molecular Formula: C91H105Br3N32O11
• Molecular Weight: 2062.77 g/mol
• Exact Mass: 2058.62
• IUPAC Name: 1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate
• SMILES: CC(C)(C)OC(=O)Nc1cn2c(-n3cccn3)cc(Br)cc2n1.CCNC(=O)Nc1cn2c(-n3cccn3)cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)cc2n1.CCNC(=O)Nc1cn2c(-n3cccn3)cc(-c3cnc(N4CCC(C)(C(=O)OCC)CC4)nc3)cc2n1.CCNC(=O)Nc1cn2c(-n3cccn3)cc(Br)cc2n1.CCOC(=O)C1(C)CCN(c2ncc(Br)cn2)CC1
• InChI: InChI=1S/C26H31N9O3.C24H27N9O3.C15H16BrN5O2.C13H13BrN6O.C13H18BrN3O2/c1-4-27-25(37)32-20-17-34-21(31-20)13-18(14-22(34)35-10-6-9-30-35)19-15-28-24(29-16-19)33-11-7-26(3,8-12-33)23(36)38-5-2;1-3-25-23(36)30-18-15-32-19(29-18)11-16(12-20(32)33-8-4-7-28-33)17-13-26-22(27-14-17)31-9-5-24(2,6-10-31)21(34)35;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;1-2-15-13(21)18-10-8-19-11(17-10)6-9(14)7-12(19)20-5-3-4-16-20;1-3-19-11(18)13(2)4-6-17(7-5-13)12-15-8-10(14)9-16-12/h6,9-10,13-17H,4-5,7-8,11-12H2,1-3H3,(H2,27,32,37);4,7-8,11-15H,3,5-6,9-10H2,1-2H3,(H,34,35)(H2,25,30,36);4-9H,1-3H3,(H,19,22);3-8H,2H2,1H3,(H2,15,18,21);8-9H,3-7H2,1-2H3
• InChIKey: GSCNJSVTEANNQG-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 479.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2062.77
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate?

The IUPAC name of 1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate (CID 158349222) is 1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate.

What is the SMILES notation for 1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate?

The canonical SMILES for 1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate is CC(C)(C)OC(=O)Nc1cn2c(-n3cccn3)cc(Br)cc2n1.CCNC(=O)Nc1cn2c(-n3cccn3)cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)cc2n1.CCNC(=O)Nc1cn2c(-n3cccn3)cc(-c3cnc(N4CCC(C)(C(=O)OCC)CC4)nc3)cc2n1.CCNC(=O)Nc1cn2c(-n3cccn3)cc(Br)cc2n1.CCOC(=O)C1(C)CCN(c2ncc(Br)cn2)CC1.

What is the InChIKey of 1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate?

The InChIKey is GSCNJSVTEANNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N9O3.C24H27N9O3.C15H16BrN5O2.C13H13BrN6O.C13H18BrN3O2/c1-4-27-25(37)32-20-17-34-21(31-20)13-18(14-22(34)35-10-6-9-30-35)19-15-28-24(29-16-19)33-11-7-26(3,8-12-33)23(36)38-5-2;1-3-25-23(36)30-18-15-32-19(29-18)11-16(12-20(32)33-8-4-7-28-33)17-13-26-22(27-14-17)31-9-5-24(2,6-10-31)21(34)35;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;1-2-15-13(21)18-10-8-19-11(17-10)6-9(14)7-12(19)20-5-3-4-16-20;1-3-19-11(18)13(2)4-6-17(7-5-13)12-15-8-10(14)9-16-12/h6,9-10,13-17H,4-5,7-8,11-12H2,1-3H3,(H2,27,32,37);4,7-8,11-15H,3,5-6,9-10H2,1-2H3,(H,34,35)(H2,25,30,36);4-9H,1-3H3,(H,19,22);3-8H,2H2,1H3,(H2,15,18,21);8-9H,3-7H2,1-2H3.

What are the key properties of 1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate?

1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate has a molecular weight of 2062.77 g/mol, XLogP of 14.56, 21 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(7-bromo-5-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)carbamate;ethyl 1-(5-bromopyrimidin-2-yl)-4-methylpiperidine-4-carboxylate;1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid;ethyl 1-[5-[2-(ethylcarbamoylamino)-5-pyrazol-1-ylimidazo[1,2-a]pyridin-7-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate is sourced from PubChem (CID 158349222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).