2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane

C125H158ClN25O16 — CID 160983172

IUPAC2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane
SMILESC.CC(C)(C)C(=O)NC(CCCc1ccccc1)c1noc2ccc(Cl)cc12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2n1CCN(C(=O)OCc1ccccc1)C2.CNC(=O)OCC1(c2ccccc2)CCn2c(nnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1.CNC(=O)OCC1CCn2c(nnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1.Cc1cc(-c2ccccc2)c2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1
InChIInChI=1S/C28H36N6O4.C26H32N6O4.C26H29N5O2.C22H25ClN2O2.C22H32N6O4.CH4/c1-27(2,29)25(35)31-22(18-37-17-20-10-6-4-7-11-20)24-33-32-23-16-28(14-15-34(23)24,19-38-26(36)30-3)21-12-8-5-9-13-21;1-26(2,27)24(33)28-21(18-35-16-19-9-5-3-6-10-19)23-30-29-22-15-31(13-14-32(22)23)25(34)36-17-20-11-7-4-8-12-20;1-18-14-21(20-12-8-5-9-13-20)23-29-30-24(31(23)15-18)22(28-25(32)26(2,3)27)17-33-16-19-10-6-4-7-11-19;1-22(2,3)21(26)24-18(11-7-10-15-8-5-4-6-9-15)20-17-14-16(23)12-13-19(17)27-25-20;1-22(2,23)20(29)25-17(14-31-12-15-7-5-4-6-8-15)19-27-26-18-11-16(9-10-28(18)19)13-32-21(30)24-3;/h4-13,22H,14-19,29H2,1-3H3,(H,30,36)(H,31,35);3-12,21H,13-18,27H2,1-2H3,(H,28,33);4-15,22H,16-17,27H2,1-3H3,(H,28,32);4-6,8-9,12-14,18H,7,10-11H2,1-3H3,(H,24,26);4-8,16-17H,9-14,23H2,1-3H3,(H,24,30)(H,25,29);1H4/t22-,28?;21-;22-;;16?,17-;/m111.1./s1
InChIKeySZTXNVZBXPZDOT-ZBDJVAPQSA-N
MW2302.25 g/mol
LogP16.64
Rot. Bonds42

About 2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane

2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane (PubChem CID 160983172) has the molecular formula C125H158ClN25O16 and a molecular weight of 2302.25 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane
PubChem CID160983172
Molecular FormulaC125H158ClN25O16
Molecular Weight2302.25 g/mol
Exact Mass2300.20
IUPAC Name2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane
SMILESC.CC(C)(C)C(=O)NC(CCCc1ccccc1)c1noc2ccc(Cl)cc12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2n1CCN(C(=O)OCc1ccccc1)C2.CNC(=O)OCC1(c2ccccc2)CCn2c(nnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1.CNC(=O)OCC1CCn2c(nnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1.Cc1cc(-c2ccccc2)c2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1
InChIInChI=1S/C28H36N6O4.C26H32N6O4.C26H29N5O2.C22H25ClN2O2.C22H32N6O4.CH4/c1-27(2,29)25(35)31-22(18-37-17-20-10-6-4-7-11-20)24-33-32-23-16-28(14-15-34(23)24,19-38-26(36)30-3)21-12-8-5-9-13-21;1-26(2,27)24(33)28-21(18-35-16-19-9-5-3-6-10-19)23-30-29-22-15-31(13-14-32(22)23)25(34)36-17-20-11-7-4-8-12-20;1-18-14-21(20-12-8-5-9-13-20)23-29-30-24(31(23)15-18)22(28-25(32)26(2,3)27)17-33-16-19-10-6-4-7-11-19;1-22(2,3)21(26)24-18(11-7-10-15-8-5-4-6-9-15)20-17-14-16(23)12-13-19(17)27-25-20;1-22(2,23)20(29)25-17(14-31-12-15-7-5-4-6-8-15)19-27-26-18-11-16(9-10-28(18)19)13-32-21(30)24-3;/h4-13,22H,14-19,29H2,1-3H3,(H,30,36)(H,31,35);3-12,21H,13-18,27H2,1-2H3,(H,28,33);4-15,22H,16-17,27H2,1-3H3,(H,28,32);4-6,8-9,12-14,18H,7,10-11H2,1-3H3,(H,24,26);4-8,16-17H,9-14,23H2,1-3H3,(H,24,30)(H,25,29);1H4/t22-,28?;21-;22-;;16?,17-;/m111.1./s1
InChIKeySZTXNVZBXPZDOT-ZBDJVAPQSA-N
XLogP16.64
TPSA541.05 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds42
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002302.25
LogP ≤ 516.64
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane with MolForge

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Related Compounds

[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;N-[1-(5-chloro-2H-indazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;[3-[(1S)-1-(2,2-dimethylpropylamino)-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;methane
CID 157371726
2-amino-N-[(1S)-1-(6-chloro-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;[3-[(2S)-5-amino-5-methyl-4-oxo-1-phenylmethoxyhexan-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;N-[1-(5-chloro-2H-indazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide
CID 158450336
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[(1S)-1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-methylphenyl)methoxy]ethyl]-2,2-dimethylpropanamide;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;N-[1-(5-chloro-2H-indazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide
CID 160367259
N-[2-(3-chlorophenyl)ethyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[2-(2-methoxyphenyl)ethyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[(3-methylimidazol-4-yl)methyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzamide;3-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]-N-(2-phenoxyethyl)benzamide;2-[3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
CID 161936658
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;N-[1-(5-chloro-2H-indazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane
CID 161983947

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane?
The IUPAC name of 2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane (CID 160983172) is 2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane.
What is the SMILES notation for 2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane?
The canonical SMILES for 2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane is C.CC(C)(C)C(=O)NC(CCCc1ccccc1)c1noc2ccc(Cl)cc12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2n1CCN(C(=O)OCc1ccccc1)C2.CNC(=O)OCC1(c2ccccc2)CCn2c(nnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1.CNC(=O)OCC1CCn2c(nnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1.Cc1cc(-c2ccccc2)c2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n2c1.
What is the InChIKey of 2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane?
The InChIKey is SZTXNVZBXPZDOT-ZBDJVAPQSA-N. The full InChI is InChI=1S/C28H36N6O4.C26H32N6O4.C26H29N5O2.C22H25ClN2O2.C22H32N6O4.CH4/c1-27(2,29)25(35)31-22(18-37-17-20-10-6-4-7-11-20)24-33-32-23-16-28(14-15-34(23)24,19-38-26(36)30-3)21-12-8-5-9-13-21;1-26(2,27)24(33)28-21(18-35-16-19-9-5-3-6-10-19)23-30-29-22-15-31(13-14-32(22)23)25(34)36-17-20-11-7-4-8-12-20;1-18-14-21(20-12-8-5-9-13-20)23-29-30-24(31(23)15-18)22(28-25(32)26(2,3)27)17-33-16-19-10-6-4-7-11-19;1-22(2,3)21(26)24-18(11-7-10-15-8-5-4-6-9-15)20-17-14-16(23)12-13-19(17)27-25-20;1-22(2,23)20(29)25-17(14-31-12-15-7-5-4-6-8-15)19-27-26-18-11-16(9-10-28(18)19)13-32-21(30)24-3;/h4-13,22H,14-19,29H2,1-3H3,(H,30,36)(H,31,35);3-12,21H,13-18,27H2,1-2H3,(H,28,33);4-15,22H,16-17,27H2,1-3H3,(H,28,32);4-6,8-9,12-14,18H,7,10-11H2,1-3H3,(H,24,26);4-8,16-17H,9-14,23H2,1-3H3,(H,24,30)(H,25,29);1H4/t22-,28?;21-;22-;;16?,17-;/m111.1./s1.
What are the key properties of 2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane?
2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane has a molecular weight of 2302.25 g/mol, XLogP of 16.64, 42 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;benzyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;N-[1-(5-chloro-1,2-benzoxazol-3-yl)-4-phenylbutyl]-2,2-dimethylpropanamide;methane is sourced from PubChem (CID 160983172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).