1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C68H97B3Br2N14O14 — CID 159097426

About 1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159097426) has the molecular formula C68H97B3Br2N14O14 and a molecular weight of 1526.85 g/mol. Its IUPAC name is 1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159097426
• Molecular Formula: C68H97B3Br2N14O14
• Molecular Weight: 1526.85 g/mol
• Exact Mass: 1524.60
• IUPAC Name: 1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(C)(C)OC(=O)Nc1cc(Br)ccn1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCNC(=O)Nc1cn2ccc(-c3ccnc(NC(=O)OC(C)(C)C)c3)cc2n1.CCNC(=O)Nc1cn2ccc(Br)cc2n1
• InChI: InChI=1S/C20H24N6O3.C16H25BN2O4.C12H24B2O4.C10H11BrN4O.C10H13BrN2O2/c1-5-21-18(27)24-16-12-26-9-7-14(11-17(26)23-16)13-6-8-22-15(10-13)25-19(28)29-20(2,3)4;1-14(2,3)21-13(20)19-12-10-11(8-9-18-12)17-22-15(4,5)16(6,7)23-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-12-10(16)14-8-6-15-4-3-7(11)5-9(15)13-8;1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h6-12H,5H2,1-4H3,(H2,21,24,27)(H,22,25,28);8-10H,1-7H3,(H,18,19,20);1-8H3;3-6H,2H2,1H3,(H2,12,14,16);4-6H,1-3H3,(H,12,13,14)
• InChIKey: KCVPAEXOZUGIOK-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 325.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1526.85
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159097426) is 1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CC(C)(C)OC(=O)Nc1cc(Br)ccn1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCNC(=O)Nc1cn2ccc(-c3ccnc(NC(=O)OC(C)(C)C)c3)cc2n1.CCNC(=O)Nc1cn2ccc(Br)cc2n1.

What is the InChIKey of 1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is KCVPAEXOZUGIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3.C16H25BN2O4.C12H24B2O4.C10H11BrN4O.C10H13BrN2O2/c1-5-21-18(27)24-16-12-26-9-7-14(11-17(26)23-16)13-6-8-22-15(10-13)25-19(28)29-20(2,3)4;1-14(2,3)21-13(20)19-12-10-11(8-9-18-12)17-22-15(4,5)16(6,7)23-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-12-10(16)14-8-6-15-4-3-7(11)5-9(15)13-8;1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h6-12H,5H2,1-4H3,(H2,21,24,27)(H,22,25,28);8-10H,1-7H3,(H,18,19,20);1-8H3;3-6H,2H2,1H3,(H2,12,14,16);4-6H,1-3H3,(H,12,13,14).

What are the key properties of 1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1526.85 g/mol, XLogP of 14.29, 10 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-bromoimidazo[1,2-a]pyridin-2-yl)-3-ethylurea;tert-butyl N-(4-bromo-2-pyridinyl)carbamate;tert-butyl N-[4-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159097426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).