[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane

C132H167F4N31O24 — CID 157255375

IUPAC[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane
SMILESC.C.CC(=O)CN(C)C(=O)OCc1cccc2nnc([C@@H](COCc3cc(F)cc(F)c3)NC(=O)C(C)(C)N)n12.CC(=O)CN(C)C(=O)OCc1cccc2nnc([C@@H](COCc3ccccc3-c3ccccc3)NC(=O)C(C)(C)N)n12.CC(C)(N)C(=O)N[C@H](COCc1cc(F)cc(F)c1)c1nnc2cccc(COC(=O)N3CCOCC3)n12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2cccc(COC(=O)N3CCC[C@@H]3C(N)=O)n12.CN(C)C(=O)OCc1cccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12
InChIInChI=1S/C31H36N6O5.C26H33N7O5.2C25H30F2N6O5.C23H30N6O4.2CH4/c1-21(38)17-36(4)30(40)42-19-24-14-10-16-27-34-35-28(37(24)27)26(33-29(39)31(2,3)32)20-41-18-23-13-8-9-15-25(23)22-11-6-5-7-12-22;1-26(2,28)24(35)29-19(16-37-14-17-8-4-3-5-9-17)23-31-30-21-12-6-10-18(33(21)23)15-38-25(36)32-13-7-11-20(32)22(27)34;1-25(2,28)23(34)29-20(15-37-13-16-10-17(26)12-18(27)11-16)22-31-30-21-5-3-4-19(33(21)22)14-38-24(35)32-6-8-36-9-7-32;1-15(34)11-32(4)24(36)38-13-19-6-5-7-21-30-31-22(33(19)21)20(29-23(35)25(2,3)28)14-37-12-16-8-17(26)10-18(27)9-16;1-23(2,24)21(30)25-18(15-32-13-16-9-6-5-7-10-16)20-27-26-19-12-8-11-17(29(19)20)14-33-22(31)28(3)4;;/h5-16,26H,17-20,32H2,1-4H3,(H,33,39);3-6,8-10,12,19-20H,7,11,13-16,28H2,1-2H3,(H2,27,34)(H,29,35);3-5,10-12,20H,6-9,13-15,28H2,1-2H3,(H,29,34);5-10,20H,11-14,28H2,1-4H3,(H,29,35);5-12,18H,13-15,24H2,1-4H3,(H,25,30);2*1H4/t26-;19-,20-;2*20-;18-;;/m11111../s1
InChIKeyAWVGYAXLVJBKGX-VLVCPNQFSA-N
MW2647.97 g/mol
LogP12.77
Rot. Bonds51

About [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane

[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane (PubChem CID 157255375) has the molecular formula C132H167F4N31O24 and a molecular weight of 2647.97 g/mol. Its IUPAC name is [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane.

Molecular Properties

Compound Name[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane
PubChem CID157255375
Molecular FormulaC132H167F4N31O24
Molecular Weight2647.97 g/mol
Exact Mass2646.27
IUPAC Name[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane
SMILESC.C.CC(=O)CN(C)C(=O)OCc1cccc2nnc([C@@H](COCc3cc(F)cc(F)c3)NC(=O)C(C)(C)N)n12.CC(=O)CN(C)C(=O)OCc1cccc2nnc([C@@H](COCc3ccccc3-c3ccccc3)NC(=O)C(C)(C)N)n12.CC(C)(N)C(=O)N[C@H](COCc1cc(F)cc(F)c1)c1nnc2cccc(COC(=O)N3CCOCC3)n12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2cccc(COC(=O)N3CCC[C@@H]3C(N)=O)n12.CN(C)C(=O)OCc1cccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12
InChIInChI=1S/C31H36N6O5.C26H33N7O5.2C25H30F2N6O5.C23H30N6O4.2CH4/c1-21(38)17-36(4)30(40)42-19-24-14-10-16-27-34-35-28(37(24)27)26(33-29(39)31(2,3)32)20-41-18-23-13-8-9-15-25(23)22-11-6-5-7-12-22;1-26(2,28)24(35)29-19(16-37-14-17-8-4-3-5-9-17)23-31-30-21-12-6-10-18(33(21)23)15-38-25(36)32-13-7-11-20(32)22(27)34;1-25(2,28)23(34)29-20(15-37-13-16-10-17(26)12-18(27)11-16)22-31-30-21-5-3-4-19(33(21)22)14-38-24(35)32-6-8-36-9-7-32;1-15(34)11-32(4)24(36)38-13-19-6-5-7-21-30-31-22(33(19)21)20(29-23(35)25(2,3)28)14-37-12-16-8-17(26)10-18(27)9-16;1-23(2,24)21(30)25-18(15-32-13-16-9-6-5-7-10-16)20-27-26-19-12-8-11-17(29(19)20)14-33-22(31)28(3)4;;/h5-16,26H,17-20,32H2,1-4H3,(H,33,39);3-6,8-10,12,19-20H,7,11,13-16,28H2,1-2H3,(H2,27,34)(H,29,35);3-5,10-12,20H,6-9,13-15,28H2,1-2H3,(H,29,34);5-10,20H,11-14,28H2,1-4H3,(H,29,35);5-12,18H,13-15,24H2,1-4H3,(H,25,30);2*1H4/t26-;19-,20-;2*20-;18-;;/m11111../s1
InChIKeyAWVGYAXLVJBKGX-VLVCPNQFSA-N
XLogP12.77
TPSA706.86 Ų
H-Bond Donors11
H-Bond Acceptors44
Rotatable Bonds51
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002647.97
LogP ≤ 512.77
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane?
The IUPAC name of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane (CID 157255375) is [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane.
What is the SMILES notation for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane?
The canonical SMILES for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane is C.C.CC(=O)CN(C)C(=O)OCc1cccc2nnc([C@@H](COCc3cc(F)cc(F)c3)NC(=O)C(C)(C)N)n12.CC(=O)CN(C)C(=O)OCc1cccc2nnc([C@@H](COCc3ccccc3-c3ccccc3)NC(=O)C(C)(C)N)n12.CC(C)(N)C(=O)N[C@H](COCc1cc(F)cc(F)c1)c1nnc2cccc(COC(=O)N3CCOCC3)n12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2cccc(COC(=O)N3CCC[C@@H]3C(N)=O)n12.CN(C)C(=O)OCc1cccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.
What is the InChIKey of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane?
The InChIKey is AWVGYAXLVJBKGX-VLVCPNQFSA-N. The full InChI is InChI=1S/C31H36N6O5.C26H33N7O5.2C25H30F2N6O5.C23H30N6O4.2CH4/c1-21(38)17-36(4)30(40)42-19-24-14-10-16-27-34-35-28(37(24)27)26(33-29(39)31(2,3)32)20-41-18-23-13-8-9-15-25(23)22-11-6-5-7-12-22;1-26(2,28)24(35)29-19(16-37-14-17-8-4-3-5-9-17)23-31-30-21-12-6-10-18(33(21)23)15-38-25(36)32-13-7-11-20(32)22(27)34;1-25(2,28)23(34)29-20(15-37-13-16-10-17(26)12-18(27)11-16)22-31-30-21-5-3-4-19(33(21)22)14-38-24(35)32-6-8-36-9-7-32;1-15(34)11-32(4)24(36)38-13-19-6-5-7-21-30-31-22(33(19)21)20(29-23(35)25(2,3)28)14-37-12-16-8-17(26)10-18(27)9-16;1-23(2,24)21(30)25-18(15-32-13-16-9-6-5-7-10-16)20-27-26-19-12-8-11-17(29(19)20)14-33-22(31)28(3)4;;/h5-16,26H,17-20,32H2,1-4H3,(H,33,39);3-6,8-10,12,19-20H,7,11,13-16,28H2,1-2H3,(H2,27,34)(H,29,35);3-5,10-12,20H,6-9,13-15,28H2,1-2H3,(H,29,34);5-10,20H,11-14,28H2,1-4H3,(H,29,35);5-12,18H,13-15,24H2,1-4H3,(H,25,30);2*1H4/t26-;19-,20-;2*20-;18-;;/m11111../s1.
What are the key properties of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane?
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane has a molecular weight of 2647.97 g/mol, XLogP of 12.77, 51 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(3,5-difluorophenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N,N-dimethylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate;methane is sourced from PubChem (CID 157255375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).