2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane

C130H166BrClF6N32O16 — CID 160956579

IUPAC2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane
SMILESC.C.C.C.C.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2cc(C(F)(F)F)cc(Cl)n12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C#N)cn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2cccc(COC(=O)N3CC[C@H](O)C3)n12.COc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.Cc1ccccc1COC[C@@H](NC(=O)C(C)(C)N)c1nnc2ccc(Br)cn12
InChIInChI=1S/C25H32N6O5.C20H24BrN5O2.C20H21ClF3N5O2.C20H22F3N5O2.C20H22N6O2.C20H25N5O3.5CH4/c1-25(2,26)23(33)27-20(16-35-14-17-7-4-3-5-8-17)22-29-28-21-10-6-9-18(31(21)22)15-36-24(34)30-12-11-19(32)13-30;1-13-6-4-5-7-14(13)11-28-12-16(23-19(27)20(2,3)22)18-25-24-17-9-8-15(21)10-26(17)18;1-19(2,25)18(30)26-14(11-31-10-12-6-4-3-5-7-12)17-28-27-16-9-13(20(22,23)24)8-15(21)29(16)17;1-19(2,24)18(29)25-15(12-30-11-13-6-4-3-5-7-13)17-27-26-16-9-8-14(10-28(16)17)20(21,22)23;1-20(2,22)19(27)23-16(13-28-12-14-6-4-3-5-7-14)18-25-24-17-9-8-15(10-21)11-26(17)18;1-20(2,21)19(26)22-16(13-28-12-14-7-5-4-6-8-14)18-24-23-17-10-9-15(27-3)11-25(17)18;;;;;/h3-10,19-20,32H,11-16,26H2,1-2H3,(H,27,33);4-10,16H,11-12,22H2,1-3H3,(H,23,27);3-9,14H,10-11,25H2,1-2H3,(H,26,30);3-10,15H,11-12,24H2,1-2H3,(H,25,29);3-9,11,16H,12-13,22H2,1-2H3,(H,23,27);4-11,16H,12-13,21H2,1-3H3,(H,22,26);5*1H4/t19-,20+;16-;14-;15-;2*16-;;;;;/m011111...../s1
InChIKeySWLUBXWBLPODNR-WEUVIEEWSA-N
MW2662.31 g/mol
LogP17.57
Rot. Bonds45

About 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane

2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane (PubChem CID 160956579) has the molecular formula C130H166BrClF6N32O16 and a molecular weight of 2662.31 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane
PubChem CID160956579
Molecular FormulaC130H166BrClF6N32O16
Molecular Weight2662.31 g/mol
Exact Mass2659.19
IUPAC Name2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane
SMILESC.C.C.C.C.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2cc(C(F)(F)F)cc(Cl)n12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C#N)cn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2cccc(COC(=O)N3CC[C@H](O)C3)n12.COc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.Cc1ccccc1COC[C@@H](NC(=O)C(C)(C)N)c1nnc2ccc(Br)cn12
InChIInChI=1S/C25H32N6O5.C20H24BrN5O2.C20H21ClF3N5O2.C20H22F3N5O2.C20H22N6O2.C20H25N5O3.5CH4/c1-25(2,26)23(33)27-20(16-35-14-17-7-4-3-5-8-17)22-29-28-21-10-6-9-18(31(21)22)15-36-24(34)30-12-11-19(32)13-30;1-13-6-4-5-7-14(13)11-28-12-16(23-19(27)20(2,3)22)18-25-24-17-9-8-15(21)10-26(17)18;1-19(2,25)18(30)26-14(11-31-10-12-6-4-3-5-7-12)17-28-27-16-9-13(20(22,23)24)8-15(21)29(16)17;1-19(2,24)18(29)25-15(12-30-11-13-6-4-3-5-7-13)17-27-26-16-9-8-14(10-28(16)17)20(21,22)23;1-20(2,22)19(27)23-16(13-28-12-14-6-4-3-5-7-14)18-25-24-17-9-8-15(10-21)11-26(17)18;1-20(2,21)19(26)22-16(13-28-12-14-7-5-4-6-8-14)18-24-23-17-10-9-15(27-3)11-25(17)18;;;;;/h3-10,19-20,32H,11-16,26H2,1-2H3,(H,27,33);4-10,16H,11-12,22H2,1-3H3,(H,23,27);3-9,14H,10-11,25H2,1-2H3,(H,26,30);3-10,15H,11-12,24H2,1-2H3,(H,25,29);3-9,11,16H,12-13,22H2,1-2H3,(H,23,27);4-11,16H,12-13,21H2,1-3H3,(H,22,26);5*1H4/t19-,20+;16-;14-;15-;2*16-;;;;;/m011111...../s1
InChIKeySWLUBXWBLPODNR-WEUVIEEWSA-N
XLogP17.57
TPSA650.03 Ų
H-Bond Donors13
H-Bond Acceptors41
Rotatable Bonds45
Heavy Atoms186
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002662.31
LogP ≤ 517.57
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane?
The IUPAC name of 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane (CID 160956579) is 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane.
What is the SMILES notation for 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane?
The canonical SMILES for 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane is C.C.C.C.C.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2cc(C(F)(F)F)cc(Cl)n12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C#N)cn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2cccc(COC(=O)N3CC[C@H](O)C3)n12.COc1ccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.Cc1ccccc1COC[C@@H](NC(=O)C(C)(C)N)c1nnc2ccc(Br)cn12.
What is the InChIKey of 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane?
The InChIKey is SWLUBXWBLPODNR-WEUVIEEWSA-N. The full InChI is InChI=1S/C25H32N6O5.C20H24BrN5O2.C20H21ClF3N5O2.C20H22F3N5O2.C20H22N6O2.C20H25N5O3.5CH4/c1-25(2,26)23(33)27-20(16-35-14-17-7-4-3-5-8-17)22-29-28-21-10-6-9-18(31(21)22)15-36-24(34)30-12-11-19(32)13-30;1-13-6-4-5-7-14(13)11-28-12-16(23-19(27)20(2,3)22)18-25-24-17-9-8-15(21)10-26(17)18;1-19(2,25)18(30)26-14(11-31-10-12-6-4-3-5-7-12)17-28-27-16-9-13(20(22,23)24)8-15(21)29(16)17;1-19(2,24)18(29)25-15(12-30-11-13-6-4-3-5-7-13)17-27-26-16-9-8-14(10-28(16)17)20(21,22)23;1-20(2,22)19(27)23-16(13-28-12-14-6-4-3-5-7-14)18-25-24-17-9-8-15(10-21)11-26(17)18;1-20(2,21)19(26)22-16(13-28-12-14-7-5-4-6-8-14)18-24-23-17-10-9-15(27-3)11-25(17)18;;;;;/h3-10,19-20,32H,11-16,26H2,1-2H3,(H,27,33);4-10,16H,11-12,22H2,1-3H3,(H,23,27);3-9,14H,10-11,25H2,1-2H3,(H,26,30);3-10,15H,11-12,24H2,1-2H3,(H,25,29);3-9,11,16H,12-13,22H2,1-2H3,(H,23,27);4-11,16H,12-13,21H2,1-3H3,(H,22,26);5*1H4/t19-,20+;16-;14-;15-;2*16-;;;;;/m011111...../s1.
What are the key properties of 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane?
2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane has a molecular weight of 2662.31 g/mol, XLogP of 17.57, 45 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-[5-chloro-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-N-[(1S)-1-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methane is sourced from PubChem (CID 160956579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).