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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)amino]-3-phenylpropanoic acid

C107H113N21O16 — CID 158734996

IUPAC6-(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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)amino]-3-phenylpropanoic acid
SMILESCC(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)c1c[nH]c2ncc(C3CC3)nc12)c1ccccc1
InChIInChI=1S/C38H39N7O5.C31H33N7O5.C19H18N4O3.C19H23N3O3/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;24-16(25)8-14(11-4-2-1-3-5-11)23-19(26)13-9-20-18-17(13)22-15(10-21-18)12-6-7-12;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/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);1-5,9-10,12,14H,6-8H2,(H,20,21)(H,23,26)(H,24,25);3-7,10,13H,8-9,11-12,20H2,1-2H3/t29-;22-;14-;/m000./s1
InChIKeyILOLLWRVQOTSBW-YOYQFFFHSA-N
MW1949.21 g/mol
LogP11.89
Rot. Bonds32

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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 158734996) has the molecular formula C107H113N21O16 and a molecular weight of 1949.21 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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name6-(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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID158734996
Molecular FormulaC107H113N21O16
Molecular Weight1949.21 g/mol
Exact Mass1947.87
IUPAC Name6-(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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)amino]-3-phenylpropanoic acid
SMILESCC(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)c1c[nH]c2ncc(C3CC3)nc12)c1ccccc1
InChIInChI=1S/C38H39N7O5.C31H33N7O5.C19H18N4O3.C19H23N3O3/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;24-16(25)8-14(11-4-2-1-3-5-11)23-19(26)13-9-20-18-17(13)22-15(10-21-18)12-6-7-12;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/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);1-5,9-10,12,14H,6-8H2,(H,20,21)(H,23,26)(H,24,25);3-7,10,13H,8-9,11-12,20H2,1-2H3/t29-;22-;14-;/m000./s1
InChIKeyILOLLWRVQOTSBW-YOYQFFFHSA-N
XLogP11.89
TPSA499.15 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds32
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001949.21
LogP ≤ 511.89
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)amino]-3-phenylpropanoic acid with MolForge

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Related Compounds

[2-Cyclopropyl-7-[[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 144993794
benzyl 4-oxopiperidine-1-carboxylate;2-cyclopropyl-N-[(2R)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(trifluoromethyl)piperidin-4-ol
CID 158780379
(1S)-2,2-difluorocyclopropane-1-carboxylic acid;ethyl 4-[[(3R)-1-[(1S)-2,2-difluorocyclopropanecarbonyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 159226976
(1S)-2,2-difluorocyclopropane-1-carboxylic acid;ethane;ethyl 4-[[(3R)-1-[(1S)-2,2-difluorocyclopropanecarbonyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 159331565
(1S)-2,2-difluorocyclopropane-1-carboxylic acid;ethyl 4-[[(3R)-1-[(1S)-2,2-difluorocyclopropanecarbonyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methane
CID 161128665
[2-Cyclopropyl-7-[8-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-8-oxooctanoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 144993849
2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118632762
(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
CID 118632764
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
CID 118632789
(3S)-3-[[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-hydroxymethyl]amino]-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-phenylpropanamide
CID 132171574
[2-Cyclopropyl-7-[8-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-8-oxooctanoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite;ethane
CID 144993848
6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide
CID 157167885

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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)amino]-3-phenylpropanoic acid (CID 158734996) 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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-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)c1c[nH]c2ncc(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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is ILOLLWRVQOTSBW-YOYQFFFHSA-N. The full InChI is InChI=1S/C38H39N7O5.C31H33N7O5.C19H18N4O3.C19H23N3O3/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;24-16(25)8-14(11-4-2-1-3-5-11)23-19(26)13-9-20-18-17(13)22-15(10-21-18)12-6-7-12;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/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);1-5,9-10,12,14H,6-8H2,(H,20,21)(H,23,26)(H,24,25);3-7,10,13H,8-9,11-12,20H2,1-2H3/t29-;22-;14-;/m000./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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 1949.21 g/mol, XLogP of 11.89, 32 rotatable bonds, 11 hydrogen bond donors, and 25 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-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 158734996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).