[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine

C₆₇H₈₅Br₂Cl₂N₂₃O₄ — CID 158816546

About [2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine

[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine (PubChem CID 158816546) has the molecular formula C₆₇H₈₅Br₂Cl₂N₂₃O₄ and a molecular weight of 1507.29 g/mol. Its IUPAC name is [2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine.

Molecular Properties

• Compound Name: [2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine
• PubChem CID: 158816546
• Molecular Formula: C₆₇H₈₅Br₂Cl₂N₂₃O₄
• Molecular Weight: 1507.29 g/mol
• Exact Mass: 1503.49
• IUPAC Name: [2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine
• SMILES: C1CNCCN1.CCc1ncc(N2CCN(c3ccn4cc(-c5cc(Cl)c(OC)cc5CO)nc4c3)CC2)cn1.CNc1ncc(Br)cn1.CNc1ncc(N2CCNCC2)cn1.CNc1ncc(N2CCNCC2)cn1.COc1cc(CO)c(-c2cn3ccc(Br)cc3n2)cc1Cl
• InChI: InChI=1S/C25H27ClN6O2.C15H12BrClN2O2.2C9H15N5.C5H6BrN3.C4H10N2/c1-3-24-27-13-19(14-28-24)31-8-6-30(7-9-31)18-4-5-32-15-22(29-25(32)11-18)20-12-21(26)23(34-2)10-17(20)16-33;1-21-14-4-9(8-20)11(6-12(14)17)13-7-19-3-2-10(16)5-15(19)18-13;2*1-10-9-12-6-8(7-13-9)14-4-2-11-3-5-14;1-7-5-8-2-4(6)3-9-5;1-2-6-4-3-5-1/h4-5,10-15,33H,3,6-9,16H2,1-2H3;2-7,20H,8H2,1H3;2*6-7,11H,2-5H2,1H3,(H,10,12,13);2-3H,1H3,(H,7,8,9);5-6H,1-4H2
• InChIKey: IVIPOKVITDKLRW-UHFFFAOYSA-N
• XLogP: 8.07
• TPSA: 293.81 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1507.29
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of [2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine?

The IUPAC name of [2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine (CID 158816546) is [2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine.

What is the SMILES notation for [2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine?

The canonical SMILES for [2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine is C1CNCCN1.CCc1ncc(N2CCN(c3ccn4cc(-c5cc(Cl)c(OC)cc5CO)nc4c3)CC2)cn1.CNc1ncc(Br)cn1.CNc1ncc(N2CCNCC2)cn1.CNc1ncc(N2CCNCC2)cn1.COc1cc(CO)c(-c2cn3ccc(Br)cc3n2)cc1Cl.

What is the InChIKey of [2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine?

The InChIKey is IVIPOKVITDKLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O2.C15H12BrClN2O2.2C9H15N5.C5H6BrN3.C4H10N2/c1-3-24-27-13-19(14-28-24)31-8-6-30(7-9-31)18-4-5-32-15-22(29-25(32)11-18)20-12-21(26)23(34-2)10-17(20)16-33;1-21-14-4-9(8-20)11(6-12(14)17)13-7-19-3-2-10(16)5-15(19)18-13;2*1-10-9-12-6-8(7-13-9)14-4-2-11-3-5-14;1-7-5-8-2-4(6)3-9-5;1-2-6-4-3-5-1/h4-5,10-15,33H,3,6-9,16H2,1-2H3;2-7,20H,8H2,1H3;2*6-7,11H,2-5H2,1H3,(H,10,12,13);2-3H,1H3,(H,7,8,9);5-6H,1-4H2.

What are the key properties of [2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine?

[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine has a molecular weight of 1507.29 g/mol, XLogP of 8.07, 14 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;5-bromo-N-methylpyrimidin-2-amine;[4-chloro-2-[7-[4-(2-ethylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;bis(N-methyl-5-piperazin-1-ylpyrimidin-2-amine);piperazine is sourced from PubChem (CID 158816546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158816546 — identifiers, structure, computed properties (public domain)

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