6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid

C106H112N22O16 — CID 160554567

About 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid

6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 160554567) has the molecular formula C106H112N22O16 and a molecular weight of 1950.20 g/mol. Its IUPAC name is 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

• Compound Name: 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid
• PubChem CID: 160554567
• Molecular Formula: C106H112N22O16
• Molecular Weight: 1950.20 g/mol
• Exact Mass: 1948.86
• IUPAC Name: 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid
• SMILES: CC(C)N1CCn2c(CN)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(CNC(=O)C[C@H](NC(=O)c3c[nH]c4ncc(C5CC5)nc34)c3ccccc3)cc(=O)c(O)c2C1=O.CC(C)N1CCn2c(CNC(=O)C[C@H](NC(=O)c3c[nH]c4ncc(C5CC5)nc34)c3ccccc3)cc(=O)c(OCc3ccccc3)c2C1=O.O=C(O)C[C@H](NC(=O)c1[nH]nc2ncc(C3CC3)nc12)c1ccccc1
• InChI: InChI=1S/C38H39N7O5.C31H33N7O5.C19H23N3O3.C18H17N5O3/c1-23(2)44-15-16-45-27(17-31(46)35(34(45)38(44)49)50-22-24-9-5-3-6-10-24)19-39-32(47)18-29(25-11-7-4-8-12-25)43-37(48)28-20-40-36-33(28)42-30(21-41-36)26-13-14-26;1-17(2)37-10-11-38-20(12-24(39)28(41)27(38)31(37)43)14-32-25(40)13-22(18-6-4-3-5-7-18)36-30(42)21-15-33-29-26(21)35-23(16-34-29)19-8-9-19;1-13(2)21-8-9-22-15(11-20)10-16(23)18(17(22)19(21)24)25-12-14-6-4-3-5-7-14;24-14(25)8-12(10-4-2-1-3-5-10)21-18(26)16-15-17(23-22-16)19-9-13(20-15)11-6-7-11/h3-12,17,20-21,23,26,29H,13-16,18-19,22H2,1-2H3,(H,39,47)(H,40,41)(H,43,48);3-7,12,15-17,19,22,41H,8-11,13-14H2,1-2H3,(H,32,40)(H,33,34)(H,36,42);3-7,10,13H,8-9,11-12,20H2,1-2H3;1-5,9,11-12H,6-8H2,(H,21,26)(H,24,25)(H,19,22,23)/t29-;22-;;12-/m00.0/s1
• InChIKey: QYMXDRRVZWVRQQ-LWTGRICQSA-N
• XLogP: 11.29
• TPSA: 512.04 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1950.20
LogP ≤ 5	11.29
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid?

The IUPAC name of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid (CID 160554567) is 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid.

What is the SMILES notation for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid?

The canonical SMILES for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid is CC(C)N1CCn2c(CN)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(CNC(=O)C[C@H](NC(=O)c3c[nH]c4ncc(C5CC5)nc34)c3ccccc3)cc(=O)c(O)c2C1=O.CC(C)N1CCn2c(CNC(=O)C[C@H](NC(=O)c3c[nH]c4ncc(C5CC5)nc34)c3ccccc3)cc(=O)c(OCc3ccccc3)c2C1=O.O=C(O)C[C@H](NC(=O)c1[nH]nc2ncc(C3CC3)nc12)c1ccccc1.

What is the InChIKey of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid?

The InChIKey is QYMXDRRVZWVRQQ-LWTGRICQSA-N. The full InChI is InChI=1S/C38H39N7O5.C31H33N7O5.C19H23N3O3.C18H17N5O3/c1-23(2)44-15-16-45-27(17-31(46)35(34(45)38(44)49)50-22-24-9-5-3-6-10-24)19-39-32(47)18-29(25-11-7-4-8-12-25)43-37(48)28-20-40-36-33(28)42-30(21-41-36)26-13-14-26;1-17(2)37-10-11-38-20(12-24(39)28(41)27(38)31(37)43)14-32-25(40)13-22(18-6-4-3-5-7-18)36-30(42)21-15-33-29-26(21)35-23(16-34-29)19-8-9-19;1-13(2)21-8-9-22-15(11-20)10-16(23)18(17(22)19(21)24)25-12-14-6-4-3-5-7-14;24-14(25)8-12(10-4-2-1-3-5-10)21-18(26)16-15-17(23-22-16)19-9-13(20-15)11-6-7-11/h3-12,17,20-21,23,26,29H,13-16,18-19,22H2,1-2H3,(H,39,47)(H,40,41)(H,43,48);3-7,12,15-17,19,22,41H,8-11,13-14H2,1-2H3,(H,32,40)(H,33,34)(H,36,42);3-7,10,13H,8-9,11-12,20H2,1-2H3;1-5,9,11-12H,6-8H2,(H,21,26)(H,24,25)(H,19,22,23)/t29-;22-;;12-/m00.0/s1.

What are the key properties of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid?

6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 1950.20 g/mol, XLogP of 11.29, 32 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 160554567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).