tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate

C60H74N12O9 — CID 167687640

IUPACtert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
SMILESCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)OC(C)(C)C)n(N)c3C(C)=O)cc2)c1.CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)OC(C)(C)C)n(NC(C)=O)c3C(C)=O)cc2)c1
InChIInChI=1S/C31H38N6O5.C29H36N6O4/c1-7-21-15-16-32-25(18-21)33-29(40)23-13-11-22(12-14-23)26-27(19(2)38)37(35-20(3)39)28(34-26)24-10-8-9-17-36(24)30(41)42-31(4,5)6;1-6-19-14-15-31-23(17-19)32-27(37)21-12-10-20(11-13-21)24-25(18(2)36)35(30)26(33-24)22-9-7-8-16-34(22)28(38)39-29(3,4)5/h11-16,18,24H,7-10,17H2,1-6H3,(H,35,39)(H,32,33,40);10-15,17,22H,6-9,16,30H2,1-5H3,(H,31,32,37)/t24-;22-/m00/s1
InChIKeyWLLQEEUMRCQMDD-YCBRDRRGSA-N
MW1107.33 g/mol
LogP10.65
Rot. Bonds13

About tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate

tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate (PubChem CID 167687640) has the molecular formula C60H74N12O9 and a molecular weight of 1107.33 g/mol. Its IUPAC name is tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
PubChem CID167687640
Molecular FormulaC60H74N12O9
Molecular Weight1107.33 g/mol
Exact Mass1106.57
IUPAC Nametert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
SMILESCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)OC(C)(C)C)n(N)c3C(C)=O)cc2)c1.CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)OC(C)(C)C)n(NC(C)=O)c3C(C)=O)cc2)c1
InChIInChI=1S/C31H38N6O5.C29H36N6O4/c1-7-21-15-16-32-25(18-21)33-29(40)23-13-11-22(12-14-23)26-27(19(2)38)37(35-20(3)39)28(34-26)24-10-8-9-17-36(24)30(41)42-31(4,5)6;1-6-19-14-15-31-23(17-19)32-27(37)21-12-10-20(11-13-21)24-25(18(2)36)35(30)26(33-24)22-9-7-8-16-34(22)28(38)39-29(3,4)5/h11-16,18,24H,7-10,17H2,1-6H3,(H,35,39)(H,32,33,40);10-15,17,22H,6-9,16,30H2,1-5H3,(H,31,32,37)/t24-;22-/m00/s1
InChIKeyWLLQEEUMRCQMDD-YCBRDRRGSA-N
XLogP10.65
TPSA267.96 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001107.33
LogP ≤ 510.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-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

3-amino-5-[4-[(4-cyano-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]imidazole-4-carboxylic acid
CID 155307490
3-amino-5-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]imidazole-4-carboxylic acid
CID 175078408
2-[1-amino-5-ethoxycarbonyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]azepane-1-carboxylic acid
CID 175080899
ethyl 3-amino-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-[4-[(4-propan-2-yl-2-pyridinyl)carbamoyl]phenyl]imidazole-4-carboxylate
CID 155307253
3-amino-2-[1-(2-cyanoacetyl)piperidin-2-yl]-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazole-4-carboxamide
CID 175072920
(2S)-2-[5-ethoxycarbonyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-1-[(2,2,2-trifluoroacetyl)amino]imidazol-2-yl]piperidine-1-carboxylic acid
CID 175072643
lithium;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazole-4-carboxylic acid;tert-butyl (3R)-3-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide
CID 167692158
tert-butyl 2-[1-amino-5-carbamoyl-4-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylate
CID 155307510
tert-butyl 3-[1-amino-5-ethoxycarbonyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 175437765
tert-butyl 6-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 167560532
tert-butyl (2S)-2-[5-ethoxycarbonyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]azepane-1-carboxylate
CID 155673934
lithium;3-amino-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-5-[4-(pyridazin-3-ylcarbamoyl)phenyl]imidazole-4-carboxylic acid;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-(pyridazin-3-ylcarbamoyl)phenyl]imidazol-2-yl]piperidine-1-carboxylate;hydroxide
CID 167707015

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate (CID 167687640) is tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate is CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)OC(C)(C)C)n(N)c3C(C)=O)cc2)c1.CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)OC(C)(C)C)n(NC(C)=O)c3C(C)=O)cc2)c1.
What is the InChIKey of tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate?
The InChIKey is WLLQEEUMRCQMDD-YCBRDRRGSA-N. The full InChI is InChI=1S/C31H38N6O5.C29H36N6O4/c1-7-21-15-16-32-25(18-21)33-29(40)23-13-11-22(12-14-23)26-27(19(2)38)37(35-20(3)39)28(34-26)24-10-8-9-17-36(24)30(41)42-31(4,5)6;1-6-19-14-15-31-23(17-19)32-27(37)21-12-10-20(11-13-21)24-25(18(2)36)35(30)26(33-24)22-9-7-8-16-34(22)28(38)39-29(3,4)5/h11-16,18,24H,7-10,17H2,1-6H3,(H,35,39)(H,32,33,40);10-15,17,22H,6-9,16,30H2,1-5H3,(H,31,32,37)/t24-;22-/m00/s1.
What are the key properties of tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate has a molecular weight of 1107.33 g/mol, XLogP of 10.65, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[1-acetamido-5-acetyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;tert-butyl (2S)-2-[5-acetyl-1-amino-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 167687640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).