2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide)

C150H181N25O35S6 — CID 158542352

About 2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide)

2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide) (PubChem CID 158542352) has the molecular formula C150H181N25O35S6 and a molecular weight of 3086.64 g/mol. Its IUPAC name is 2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide).

Molecular Properties

• Compound Name: 2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide)
• PubChem CID: 158542352
• Molecular Formula: C150H181N25O35S6
• Molecular Weight: 3086.64 g/mol
• Exact Mass: 3084.15
• IUPAC Name: 2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide)
• SMILES: Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C(C)(C)CN)CC2)C3=O)cc1.Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C(C)(C)CO)CC2)C3=O)cc1.Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C(C)(C)CO)CC2)C3=O)cn1.Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C(C)(C)CO)CC2)C3=O)cn1.Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C(C)(C)c4ncno4)CC2)C3=O)cc1.Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C(C)(C)c4ncno4)CC2)C3=O)cc1
• InChI: InChI=1S/2C26H29N5O6S.C25H32N4O5S.C25H31N3O6S.2C24H30N4O6S/c2*1-17-4-6-18(7-5-17)14-27-21(32)19-8-9-20-23(34)30(12-13-31(20)22(19)33)15-26(10-11-26)38(35,36)25(2,3)24-28-16-29-37-24;1-17-4-6-18(7-5-17)14-27-21(30)19-8-9-20-23(32)28(12-13-29(20)22(19)31)16-25(10-11-25)35(33,34)24(2,3)15-26;1-17-4-6-18(7-5-17)14-26-21(30)19-8-9-20-23(32)27(12-13-28(20)22(19)31)15-25(10-11-25)35(33,34)24(2,3)16-29;2*1-16-4-5-17(12-25-16)13-26-20(30)18-6-7-19-22(32)27(10-11-28(19)21(18)31)14-24(8-9-24)35(33,34)23(2,3)15-29/h2*4-9,16H,10-15H2,1-3H3,(H,27,32);4-9H,10-16,26H2,1-3H3,(H,27,30);4-9,29H,10-16H2,1-3H3,(H,26,30);2*4-7,12,29H,8-11,13-15H2,1-3H3,(H,26,30)
• InChIKey: HORKOHDZOVIJCV-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 823.63 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 48
• Rotatable Bonds: 48
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3086.64
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide)?

The IUPAC name of 2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide) (CID 158542352) is 2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide).

What is the SMILES notation for 2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide)?

The canonical SMILES for 2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide) is Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C(C)(C)CN)CC2)C3=O)cc1.Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C(C)(C)CO)CC2)C3=O)cc1.Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C(C)(C)CO)CC2)C3=O)cn1.Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C(C)(C)CO)CC2)C3=O)cn1.Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C(C)(C)c4ncno4)CC2)C3=O)cc1.Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C(C)(C)c4ncno4)CC2)C3=O)cc1.

What is the InChIKey of 2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide)?

The InChIKey is HORKOHDZOVIJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H29N5O6S.C25H32N4O5S.C25H31N3O6S.2C24H30N4O6S/c2*1-17-4-6-18(7-5-17)14-27-21(32)19-8-9-20-23(34)30(12-13-31(20)22(19)33)15-26(10-11-26)38(35,36)25(2,3)24-28-16-29-37-24;1-17-4-6-18(7-5-17)14-27-21(30)19-8-9-20-23(32)28(12-13-29(20)22(19)31)16-25(10-11-25)35(33,34)24(2,3)15-26;1-17-4-6-18(7-5-17)14-26-21(30)19-8-9-20-23(32)27(12-13-28(20)22(19)31)15-25(10-11-25)35(33,34)24(2,3)16-29;2*1-16-4-5-17(12-25-16)13-26-20(30)18-6-7-19-22(32)27(10-11-28(19)21(18)31)14-24(8-9-24)35(33,34)23(2,3)15-29/h2*4-9,16H,10-15H2,1-3H3,(H,27,32);4-9H,10-16,26H2,1-3H3,(H,27,30);4-9,29H,10-16H2,1-3H3,(H,26,30);2*4-7,12,29H,8-11,13-15H2,1-3H3,(H,26,30).

What are the key properties of 2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide)?

2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide) has a molecular weight of 3086.64 g/mol, XLogP of 7.42, 48 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide) is sourced from PubChem (CID 158542352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).