[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate

C144H173N31O25 — CID 157338749

IUPAC[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)N3CCC[C@@H]3C(N)=O)n12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1-c1ccccc1)c1nnc2cccc(COC(=O)N3CCOCC3)n12.CN(CC(N)=O)C(=O)OCc1cccc2cnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.CN(CC(N)=O)C(=O)OCc1cccc2cnc([C@@H](COCc3ccccc3-c3ccccc3)NC(=O)C(C)(C)N)n12.CN(CC(N)=O)C(=O)OCc1cccc2nnc([C@@H](COCc3ccccc3-c3ccccc3)NC(=O)C(C)(C)N)n12
InChIInChI=1S/2C31H36N6O5.C30H35N7O5.C27H34N6O5.C25H32N6O5/c1-31(2,32)29(38)33-26(21-41-19-23-11-6-7-13-25(23)22-9-4-3-5-10-22)28-35-34-27-14-8-12-24(37(27)28)20-42-30(39)36-15-17-40-18-16-36;1-31(2,33)29(39)35-26(20-41-18-22-12-7-8-15-25(22)21-10-5-4-6-11-21)28-34-16-23-13-9-14-24(37(23)28)19-42-30(40)36(3)17-27(32)38;1-30(2,32)28(39)33-24(19-41-17-21-12-7-8-14-23(21)20-10-5-4-6-11-20)27-35-34-26-15-9-13-22(37(26)27)18-42-29(40)36(3)16-25(31)38;1-27(2,29)25(35)31-21(17-37-15-18-8-4-3-5-9-18)24-30-14-19-10-6-11-20(33(19)24)16-38-26(36)32-13-7-12-22(32)23(28)34;1-25(2,27)23(33)29-20(16-35-14-17-8-5-4-6-9-17)22-28-12-18-10-7-11-19(31(18)22)15-36-24(34)30(3)13-21(26)32/h3-14,26H,15-21,32H2,1-2H3,(H,33,38);4-16,26H,17-20,33H2,1-3H3,(H2,32,38)(H,35,39);4-15,24H,16-19,32H2,1-3H3,(H2,31,38)(H,33,39);3-6,8-11,14,21-22H,7,12-13,15-17,29H2,1-2H3,(H2,28,34)(H,31,35);4-12,20H,13-16,27H2,1-3H3,(H2,26,32)(H,29,33)/t2*26-;24-;21-,22-;20-/m11111/s1
InChIKeyBGDNFRCGNSVGHL-BMTKLLDBSA-N
MW2738.16 g/mol
LogP12.74
Rot. Bonds55

About [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)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]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate (PubChem CID 157338749) has the molecular formula C144H173N31O25 and a molecular weight of 2738.16 g/mol. Its IUPAC name is [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate
PubChem CID157338749
Molecular FormulaC144H173N31O25
Molecular Weight2738.16 g/mol
Exact Mass2736.32
IUPAC Name[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)N3CCC[C@@H]3C(N)=O)n12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1-c1ccccc1)c1nnc2cccc(COC(=O)N3CCOCC3)n12.CN(CC(N)=O)C(=O)OCc1cccc2cnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.CN(CC(N)=O)C(=O)OCc1cccc2cnc([C@@H](COCc3ccccc3-c3ccccc3)NC(=O)C(C)(C)N)n12.CN(CC(N)=O)C(=O)OCc1cccc2nnc([C@@H](COCc3ccccc3-c3ccccc3)NC(=O)C(C)(C)N)n12
InChIInChI=1S/2C31H36N6O5.C30H35N7O5.C27H34N6O5.C25H32N6O5/c1-31(2,32)29(38)33-26(21-41-19-23-11-6-7-13-25(23)22-9-4-3-5-10-22)28-35-34-27-14-8-12-24(37(27)28)20-42-30(39)36-15-17-40-18-16-36;1-31(2,33)29(39)35-26(20-41-18-22-12-7-8-15-25(22)21-10-5-4-6-11-21)28-34-16-23-13-9-14-24(37(23)28)19-42-30(40)36(3)17-27(32)38;1-30(2,32)28(39)33-24(19-41-17-21-12-7-8-14-23(21)20-10-5-4-6-11-20)27-35-34-26-15-9-13-22(37(26)27)18-42-29(40)36(3)16-25(31)38;1-27(2,29)25(35)31-21(17-37-15-18-8-4-3-5-9-18)24-30-14-19-10-6-11-20(33(19)24)16-38-26(36)32-13-7-12-22(32)23(28)34;1-25(2,27)23(33)29-20(16-35-14-17-8-5-4-6-9-17)22-28-12-18-10-7-11-19(31(18)22)15-36-24(34)30(3)13-21(26)32/h3-14,26H,15-21,32H2,1-2H3,(H,33,38);4-16,26H,17-20,33H2,1-3H3,(H2,32,38)(H,35,39);4-15,24H,16-19,32H2,1-3H3,(H2,31,38)(H,33,39);3-6,8-11,14,21-22H,7,12-13,15-17,29H2,1-2H3,(H2,28,34)(H,31,35);4-12,20H,13-16,27H2,1-3H3,(H2,26,32)(H,29,33)/t2*26-;24-;21-,22-;20-/m11111/s1
InChIKeyBGDNFRCGNSVGHL-BMTKLLDBSA-N
XLogP12.74
TPSA763.32 Ų
H-Bond Donors14
H-Bond Acceptors42
Rotatable Bonds55
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002738.16
LogP ≤ 512.74
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate 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

tris([2-[[6-[5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-1-ium-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate);tris(2,2,2-trifluoroacetate)
CID 155719469
3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 156767395
benzyl (2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate;(4-ethoxypiperidin-1-yl)-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone;methyl (3R,5R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-5-methylpiperidine-3-carboxylate
CID 158828442
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-(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;2-amino-2-methyl-N-[(1S)-1-[5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]propanamide;[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
CID 159147707
CID 162211054
CID 162211054
3-[5-[4-[[4-[6-[6-[2-(3-Fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 166784331
[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[(5-methylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone
CID 167577923
[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 167659374
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-butylcarbamate;2,2-dimethyl-N-[(1S)-2-phenylmethoxy-1-(8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide;naphthalen-1-ylmethyl 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 90734336
bis([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);[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate
CID 90939570
[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;[3-[(1S,2R)-1-(2,2-dimethylpropanoylamino)-2-phenylmethoxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl piperidine-1-carboxylate
CID 91010016
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]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-methylpyrrolidine-1-carboxylate;[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]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate
CID 91301558

Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate?
The IUPAC name of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate (CID 157338749) is [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate.
What is the SMILES notation for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate?
The canonical SMILES for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)N3CCC[C@@H]3C(N)=O)n12.CC(C)(N)C(=O)N[C@H](COCc1ccccc1-c1ccccc1)c1nnc2cccc(COC(=O)N3CCOCC3)n12.CN(CC(N)=O)C(=O)OCc1cccc2cnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.CN(CC(N)=O)C(=O)OCc1cccc2cnc([C@@H](COCc3ccccc3-c3ccccc3)NC(=O)C(C)(C)N)n12.CN(CC(N)=O)C(=O)OCc1cccc2nnc([C@@H](COCc3ccccc3-c3ccccc3)NC(=O)C(C)(C)N)n12.
What is the InChIKey of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate?
The InChIKey is BGDNFRCGNSVGHL-BMTKLLDBSA-N. The full InChI is InChI=1S/2C31H36N6O5.C30H35N7O5.C27H34N6O5.C25H32N6O5/c1-31(2,32)29(38)33-26(21-41-19-23-11-6-7-13-25(23)22-9-4-3-5-10-22)28-35-34-27-14-8-12-24(37(27)28)20-42-30(39)36-15-17-40-18-16-36;1-31(2,33)29(39)35-26(20-41-18-22-12-7-8-15-25(22)21-10-5-4-6-11-21)28-34-16-23-13-9-14-24(37(23)28)19-42-30(40)36(3)17-27(32)38;1-30(2,32)28(39)33-24(19-41-17-21-12-7-8-14-23(21)20-10-5-4-6-11-20)27-35-34-26-15-9-13-22(37(26)27)18-42-29(40)36(3)16-25(31)38;1-27(2,29)25(35)31-21(17-37-15-18-8-4-3-5-9-18)24-30-14-19-10-6-11-20(33(19)24)16-38-26(36)32-13-7-12-22(32)23(28)34;1-25(2,27)23(33)29-20(16-35-14-17-8-5-4-6-9-17)22-28-12-18-10-7-11-19(31(18)22)15-36-24(34)30(3)13-21(26)32/h3-14,26H,15-21,32H2,1-2H3,(H,33,38);4-16,26H,17-20,33H2,1-3H3,(H2,32,38)(H,35,39);4-15,24H,16-19,32H2,1-3H3,(H2,31,38)(H,33,39);3-6,8-11,14,21-22H,7,12-13,15-17,29H2,1-2H3,(H2,28,34)(H,31,35);4-12,20H,13-16,27H2,1-3H3,(H2,26,32)(H,29,33)/t2*26-;24-;21-,22-;20-/m11111/s1.
What are the key properties of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)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]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate has a molecular weight of 2738.16 g/mol, XLogP of 12.74, 55 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[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-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-phenylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl morpholine-4-carboxylate is sourced from PubChem (CID 157338749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).