1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine

C98H102N28O3 — CID 157089584

About 1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine

1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 157089584) has the molecular formula C98H102N28O3 and a molecular weight of 1720.09 g/mol. Its IUPAC name is 1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
• PubChem CID: 157089584
• Molecular Formula: C98H102N28O3
• Molecular Weight: 1720.09 g/mol
• Exact Mass: 1718.87
• IUPAC Name: 1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
• SMILES: CC1(O)CCN(c2ccc(Nc3nc(-c4ccc5c(c4)NCCO5)cn4ccnc34)cc2)CC1.CCCN(C)c1ccc(Nc2nc(-c3ccc4c(c3)OCCN4)cn3ccnc23)cn1.Cn1ccc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCCCC5)nc4)n3)ccc21.Cn1cnc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCCCC5)nc4)n3)cc21
• InChI: InChI=1S/C26H28N6O2.C25H25N7.C24H24N8.C23H25N7O/c1-26(33)8-12-31(13-9-26)20-5-3-19(4-6-20)29-24-25-28-10-14-32(25)17-22(30-24)18-2-7-23-21(16-18)27-11-15-34-23;1-30-13-9-19-15-18(5-7-22(19)30)21-17-32-14-10-26-25(32)24(29-21)28-20-6-8-23(27-16-20)31-11-3-2-4-12-31;1-30-16-27-19-7-5-17(13-21(19)30)20-15-32-12-9-25-24(32)23(29-20)28-18-6-8-22(26-14-18)31-10-3-2-4-11-31;1-3-10-29(2)21-7-5-17(14-26-21)27-22-23-25-8-11-30(23)15-19(28-22)16-4-6-18-20(13-16)31-12-9-24-18/h2-7,10,14,16-17,27,33H,8-9,11-13,15H2,1H3,(H,29,30);5-10,13-17H,2-4,11-12H2,1H3,(H,28,29);5-9,12-16H,2-4,10-11H2,1H3,(H,28,29);4-8,11,13-15,24H,3,9-10,12H2,1-2H3,(H,27,28)
• InChIKey: AEMUXXJHGMUDMO-UHFFFAOYSA-N
• XLogP: 17.91
• TPSA: 306.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1720.09
LogP ≤ 5	17.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?

The IUPAC name of 1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine (CID 157089584) is 1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine.

What is the SMILES notation for 1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?

The canonical SMILES for 1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine is CC1(O)CCN(c2ccc(Nc3nc(-c4ccc5c(c4)NCCO5)cn4ccnc34)cc2)CC1.CCCN(C)c1ccc(Nc2nc(-c3ccc4c(c3)OCCN4)cn3ccnc23)cn1.Cn1ccc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCCCC5)nc4)n3)ccc21.Cn1cnc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCCCC5)nc4)n3)cc21.

What is the InChIKey of 1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?

The InChIKey is AEMUXXJHGMUDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2.C25H25N7.C24H24N8.C23H25N7O/c1-26(33)8-12-31(13-9-26)20-5-3-19(4-6-20)29-24-25-28-10-14-32(25)17-22(30-24)18-2-7-23-21(16-18)27-11-15-34-23;1-30-13-9-19-15-18(5-7-22(19)30)21-17-32-14-10-26-25(32)24(29-21)28-20-6-8-23(27-16-20)31-11-3-2-4-12-31;1-30-16-27-19-7-5-17(13-21(19)30)20-15-32-12-9-25-24(32)23(29-20)28-18-6-8-22(26-14-18)31-10-3-2-4-11-31;1-3-10-29(2)21-7-5-17(14-26-21)27-22-23-25-8-11-30(23)15-19(28-22)16-4-6-18-20(13-16)31-12-9-24-18/h2-7,10,14,16-17,27,33H,8-9,11-13,15H2,1H3,(H,29,30);5-10,13-17H,2-4,11-12H2,1H3,(H,28,29);5-9,12-16H,2-4,10-11H2,1H3,(H,28,29);4-8,11,13-15,24H,3,9-10,12H2,1-2H3,(H,27,28).

What are the key properties of 1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?

1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 1720.09 g/mol, XLogP of 17.91, 18 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylpiperidin-4-ol;5-N-[6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2-N-methyl-2-N-propylpyridine-2,5-diamine;6-(3-methylbenzimidazol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine;6-(1-methylindol-5-yl)-N-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 157089584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).