acetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane

C131H154F5N19O29 — CID 159263886

IUPACacetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane
SMILESC.C.C.CC(=O)O.CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCn2cc(/C=C(/C)[N+](=O)[O-])cc2C1=O.CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCn2cc(C=O)cc2C1=O.CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCn2cc(CC(C)=O)cc2C1=O.CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCn2cc(Cc3ccc4cccnc4n3)cc2C1=O.CC[N+](=O)[O-].COc1ccc([C@H](CC(=O)O)N2CCn3cc(Cc4ccc5c(n4)NCCC5)cc3C2=O)cc1F.N.Nc1ncccc1C=O
InChIInChI=1S/C28H27FN4O4.C26H27FN4O4.C22H24FN3O6.C22H25FN2O5.C20H21FN2O5.C6H6N2O.C2H5NO2.C2H4O2.3CH4.H3N/c1-3-37-26(34)16-23(20-7-9-25(36-2)22(29)15-20)33-12-11-32-17-18(14-24(32)28(33)35)13-21-8-6-19-5-4-10-30-27(19)31-21;1-35-23-7-5-18(13-20(23)27)21(14-24(32)33)31-10-9-30-15-16(12-22(30)26(31)34)11-19-6-4-17-3-2-8-28-25(17)29-19;1-4-32-21(27)12-18(16-5-6-20(31-3)17(23)11-16)25-8-7-24-13-15(9-14(2)26(29)30)10-19(24)22(25)28;1-4-30-21(27)12-18(16-5-6-20(29-3)17(23)11-16)25-8-7-24-13-15(9-14(2)26)10-19(24)22(25)28;1-3-28-19(25)10-16(14-4-5-18(27-2)15(21)9-14)23-7-6-22-11-13(12-24)8-17(22)20(23)26;7-6-5(4-9)2-1-3-8-6;1-2-3(4)5;1-2(3)4;;;;/h4-10,14-15,17,23H,3,11-13,16H2,1-2H3;4-7,12-13,15,21H,2-3,8-11,14H2,1H3,(H,28,29)(H,32,33);5-6,9-11,13,18H,4,7-8,12H2,1-3H3;5-6,10-11,13,18H,4,7-9,12H2,1-3H3;4-5,8-9,11-12,16H,3,6-7,10H2,1-2H3;1-4H,(H2,7,8);2H2,1H3;1H3,(H,3,4);3*1H4;1H3/b;;14-9-;;;;;;;;;/t23-;21-;2*18-;16-;;;;;;;/m00000......./s1
InChIKeyUSXSZRLQTOXYGQ-DEVONCFVSA-N
MW2553.77 g/mol
LogP19.83
Rot. Bonds40

About acetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane

acetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane (PubChem CID 159263886) has the molecular formula C131H154F5N19O29 and a molecular weight of 2553.77 g/mol. Its IUPAC name is acetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane.

Molecular Properties

Compound Nameacetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane
PubChem CID159263886
Molecular FormulaC131H154F5N19O29
Molecular Weight2553.77 g/mol
Exact Mass2552.11
IUPAC Nameacetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane
SMILESC.C.C.CC(=O)O.CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCn2cc(/C=C(/C)[N+](=O)[O-])cc2C1=O.CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCn2cc(C=O)cc2C1=O.CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCn2cc(CC(C)=O)cc2C1=O.CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCn2cc(Cc3ccc4cccnc4n3)cc2C1=O.CC[N+](=O)[O-].COc1ccc([C@H](CC(=O)O)N2CCn3cc(Cc4ccc5c(n4)NCCC5)cc3C2=O)cc1F.N.Nc1ncccc1C=O
InChIInChI=1S/C28H27FN4O4.C26H27FN4O4.C22H24FN3O6.C22H25FN2O5.C20H21FN2O5.C6H6N2O.C2H5NO2.C2H4O2.3CH4.H3N/c1-3-37-26(34)16-23(20-7-9-25(36-2)22(29)15-20)33-12-11-32-17-18(14-24(32)28(33)35)13-21-8-6-19-5-4-10-30-27(19)31-21;1-35-23-7-5-18(13-20(23)27)21(14-24(32)33)31-10-9-30-15-16(12-22(30)26(31)34)11-19-6-4-17-3-2-8-28-25(17)29-19;1-4-32-21(27)12-18(16-5-6-20(31-3)17(23)11-16)25-8-7-24-13-15(9-14(2)26(29)30)10-19(24)22(25)28;1-4-30-21(27)12-18(16-5-6-20(29-3)17(23)11-16)25-8-7-24-13-15(9-14(2)26)10-19(24)22(25)28;1-3-28-19(25)10-16(14-4-5-18(27-2)15(21)9-14)23-7-6-22-11-13(12-24)8-17(22)20(23)26;7-6-5(4-9)2-1-3-8-6;1-2-3(4)5;1-2(3)4;;;;/h4-10,14-15,17,23H,3,11-13,16H2,1-2H3;4-7,12-13,15,21H,2-3,8-11,14H2,1H3,(H,28,29)(H,32,33);5-6,9-11,13,18H,4,7-8,12H2,1-3H3;5-6,10-11,13,18H,4,7-9,12H2,1-3H3;4-5,8-9,11-12,16H,3,6-7,10H2,1-2H3;1-4H,(H2,7,8);2H2,1H3;1H3,(H,3,4);3*1H4;1H3/b;;14-9-;;;;;;;;;/t23-;21-;2*18-;16-;;;;;;;/m00000......./s1
InChIKeyUSXSZRLQTOXYGQ-DEVONCFVSA-N
XLogP19.83
TPSA614.25 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds40
Heavy Atoms184
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002553.77
LogP ≤ 519.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane?
The IUPAC name of acetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane (CID 159263886) is acetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane.
What is the SMILES notation for acetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane?
The canonical SMILES for acetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane is C.C.C.CC(=O)O.CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCn2cc(/C=C(/C)[N+](=O)[O-])cc2C1=O.CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCn2cc(C=O)cc2C1=O.CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCn2cc(CC(C)=O)cc2C1=O.CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N1CCn2cc(Cc3ccc4cccnc4n3)cc2C1=O.CC[N+](=O)[O-].COc1ccc([C@H](CC(=O)O)N2CCn3cc(Cc4ccc5c(n4)NCCC5)cc3C2=O)cc1F.N.Nc1ncccc1C=O.
What is the InChIKey of acetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane?
The InChIKey is USXSZRLQTOXYGQ-DEVONCFVSA-N. The full InChI is InChI=1S/C28H27FN4O4.C26H27FN4O4.C22H24FN3O6.C22H25FN2O5.C20H21FN2O5.C6H6N2O.C2H5NO2.C2H4O2.3CH4.H3N/c1-3-37-26(34)16-23(20-7-9-25(36-2)22(29)15-20)33-12-11-32-17-18(14-24(32)28(33)35)13-21-8-6-19-5-4-10-30-27(19)31-21;1-35-23-7-5-18(13-20(23)27)21(14-24(32)33)31-10-9-30-15-16(12-22(30)26(31)34)11-19-6-4-17-3-2-8-28-25(17)29-19;1-4-32-21(27)12-18(16-5-6-20(31-3)17(23)11-16)25-8-7-24-13-15(9-14(2)26(29)30)10-19(24)22(25)28;1-4-30-21(27)12-18(16-5-6-20(29-3)17(23)11-16)25-8-7-24-13-15(9-14(2)26)10-19(24)22(25)28;1-3-28-19(25)10-16(14-4-5-18(27-2)15(21)9-14)23-7-6-22-11-13(12-24)8-17(22)20(23)26;7-6-5(4-9)2-1-3-8-6;1-2-3(4)5;1-2(3)4;;;;/h4-10,14-15,17,23H,3,11-13,16H2,1-2H3;4-7,12-13,15,21H,2-3,8-11,14H2,1H3,(H,28,29)(H,32,33);5-6,9-11,13,18H,4,7-8,12H2,1-3H3;5-6,10-11,13,18H,4,7-9,12H2,1-3H3;4-5,8-9,11-12,16H,3,6-7,10H2,1-2H3;1-4H,(H2,7,8);2H2,1H3;1H3,(H,3,4);3*1H4;1H3/b;;14-9-;;;;;;;;;/t23-;21-;2*18-;16-;;;;;;;/m00000......./s1.
What are the key properties of acetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane?
acetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane has a molecular weight of 2553.77 g/mol, XLogP of 19.83, 40 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-aminopyridine-3-carbaldehyde;azane;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(7-formyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-(1,8-naphthyridin-2-ylmethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(Z)-2-nitroprop-1-enyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(2-oxopropyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;methane;1-nitroethane is sourced from PubChem (CID 159263886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).