N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate

C84H84Br2N18O10 — CID 158630752

About N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate

N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate (PubChem CID 158630752) has the molecular formula C84H84Br2N18O10 and a molecular weight of 1665.52 g/mol. Its IUPAC name is N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate.

Molecular Properties

• Compound Name: N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate
• PubChem CID: 158630752
• Molecular Formula: C84H84Br2N18O10
• Molecular Weight: 1665.52 g/mol
• Exact Mass: 1662.50
• IUPAC Name: N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccn2c(Br)cnc12.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccn2c(C#Cc3cccc(NC(=O)N4N=CCC4c4ccccc4)c3)cnc12.Nc1cccn2c(Br)cnc12.Nc1cccn2c(C#Cc3cccc(NC(=O)N4N=CCC4c4ccccc4)c3)cnc12
• InChI: InChI=1S/C35H36N6O5.C25H20N6O.C17H22BrN3O4.C7H6BrN3/c1-34(2,3)45-32(43)40(33(44)46-35(4,5)6)29-16-11-21-39-27(23-36-30(29)39)18-17-24-12-10-15-26(22-24)38-31(42)41-28(19-20-37-41)25-13-8-7-9-14-25;26-22-10-5-15-30-21(17-27-24(22)30)12-11-18-6-4-9-20(16-18)29-25(32)31-23(13-14-28-31)19-7-2-1-3-8-19;1-16(2,3)24-14(22)21(15(23)25-17(4,5)6)11-8-7-9-20-12(18)10-19-13(11)20;8-6-4-10-7-5(9)2-1-3-11(6)7/h7-16,20-23,28H,19H2,1-6H3,(H,38,42);1-10,14-17,23H,13,26H2,(H,29,32);7-10H,1-6H3;1-4H,9H2
• InChIKey: HZDXGJBTXPYGJY-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 322.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1665.52
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate?

The IUPAC name of N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate (CID 158630752) is N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate.

What is the SMILES notation for N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate?

The canonical SMILES for N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccn2c(Br)cnc12.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccn2c(C#Cc3cccc(NC(=O)N4N=CCC4c4ccccc4)c3)cnc12.Nc1cccn2c(Br)cnc12.Nc1cccn2c(C#Cc3cccc(NC(=O)N4N=CCC4c4ccccc4)c3)cnc12.

What is the InChIKey of N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate?

The InChIKey is HZDXGJBTXPYGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O5.C25H20N6O.C17H22BrN3O4.C7H6BrN3/c1-34(2,3)45-32(43)40(33(44)46-35(4,5)6)29-16-11-21-39-27(23-36-30(29)39)18-17-24-12-10-15-26(22-24)38-31(42)41-28(19-20-37-41)25-13-8-7-9-14-25;26-22-10-5-15-30-21(17-27-24(22)30)12-11-18-6-4-9-20(16-18)29-25(32)31-23(13-14-28-31)19-7-2-1-3-8-19;1-16(2,3)24-14(22)21(15(23)25-17(4,5)6)11-8-7-9-20-12(18)10-19-13(11)20;8-6-4-10-7-5(9)2-1-3-11(6)7/h7-16,20-23,28H,19H2,1-6H3,(H,38,42);1-10,14-17,23H,13,26H2,(H,29,32);7-10H,1-6H3;1-4H,9H2.

What are the key properties of N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate?

N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate has a molecular weight of 1665.52 g/mol, XLogP of 18.11, 6 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;3-bromoimidazo[1,2-a]pyridin-8-amine;tert-butyl N-(3-bromoimidazo[1,2-a]pyridin-8-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[3-[(3-phenyl-3,4-dihydropyrazole-2-carbonyl)amino]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate is sourced from PubChem (CID 158630752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).