3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate

C59H60Cl2N14O6 — CID 167586623

IUPAC3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccc(Cl)cc4)ccn3)cc2)c(C(N)=O)n1N.NC(=O)c1c(-c2ccc(C(=O)Nc3cc(-c4ccc(Cl)cc4)ccn3)cc2)nc([C@@H]2CCCCN2)n1N
InChIInChI=1S/C32H34ClN7O4.C27H26ClN7O2/c1-32(2,3)44-31(43)39-17-5-4-6-24(39)29-38-26(27(28(34)41)40(29)35)20-7-9-21(10-8-20)30(42)37-25-18-22(15-16-36-25)19-11-13-23(33)14-12-19;28-20-10-8-16(9-11-20)19-12-14-32-22(15-19)33-27(37)18-6-4-17(5-7-18)23-24(25(29)36)35(30)26(34-23)21-3-1-2-13-31-21/h7-16,18,24H,4-6,17,35H2,1-3H3,(H2,34,41)(H,36,37,42);4-12,14-15,21,31H,1-3,13,30H2,(H2,29,36)(H,32,33,37)/t24-;21-/m00/s1
InChIKeyHWPALYWUPIETLA-SZPPVXOUSA-N
MW1132.13 g/mol
LogP9.94
Rot. Bonds12

About 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate

3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate (PubChem CID 167586623) has the molecular formula C59H60Cl2N14O6 and a molecular weight of 1132.13 g/mol. Its IUPAC name is 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
PubChem CID167586623
Molecular FormulaC59H60Cl2N14O6
Molecular Weight1132.13 g/mol
Exact Mass1130.42
IUPAC Name3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccc(Cl)cc4)ccn3)cc2)c(C(N)=O)n1N.NC(=O)c1c(-c2ccc(C(=O)Nc3cc(-c4ccc(Cl)cc4)ccn3)cc2)nc([C@@H]2CCCCN2)n1N
InChIInChI=1S/C32H34ClN7O4.C27H26ClN7O2/c1-32(2,3)44-31(43)39-17-5-4-6-24(39)29-38-26(27(28(34)41)40(29)35)20-7-9-21(10-8-20)30(42)37-25-18-22(15-16-36-25)19-11-13-23(33)14-12-19;28-20-10-8-16(9-11-20)19-12-14-32-22(15-19)33-27(37)18-6-4-17(5-7-18)23-24(25(29)36)35(30)26(34-23)21-3-1-2-13-31-21/h7-16,18,24H,4-6,17,35H2,1-3H3,(H2,34,41)(H,36,37,42);4-12,14-15,21,31H,1-3,13,30H2,(H2,29,36)(H,32,33,37)/t24-;21-/m00/s1
InChIKeyHWPALYWUPIETLA-SZPPVXOUSA-N
XLogP9.94
TPSA299.41 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001132.13
LogP ≤ 59.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

3-amino-5-[4-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate;2,2,2-trifluoroacetaldehyde
CID 167559017
tert-butyl 2-[1-amino-5-carbamoyl-4-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylate
CID 155307510
3-amino-5-[4-[[4-(4-isocyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;3-amino-5-[4-[[4-(4-isocyanophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazole-4-carboxamide;prop-2-enoyl chloride
CID 167624231
tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 155307703
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
3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide
CID 175080909
3-amino-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazole-4-carboxylic acid;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylate
CID 167631879
3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-1-prop-1-enylpiperidin-2-yl]imidazole-4-carboxamide
CID 175437650
tert-butyl (2S)-2-[5-acetyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 167654514
3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide
CID 175076082
3-amino-2-(1-but-2-ynoylpiperidin-2-yl)-5-[4-[[4-(4-cyanophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazole-4-carboxamide
CID 155307725

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate (CID 167586623) is 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccc(Cl)cc4)ccn3)cc2)c(C(N)=O)n1N.NC(=O)c1c(-c2ccc(C(=O)Nc3cc(-c4ccc(Cl)cc4)ccn3)cc2)nc([C@@H]2CCCCN2)n1N.
What is the InChIKey of 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate?
The InChIKey is HWPALYWUPIETLA-SZPPVXOUSA-N. The full InChI is InChI=1S/C32H34ClN7O4.C27H26ClN7O2/c1-32(2,3)44-31(43)39-17-5-4-6-24(39)29-38-26(27(28(34)41)40(29)35)20-7-9-21(10-8-20)30(42)37-25-18-22(15-16-36-25)19-11-13-23(33)14-12-19;28-20-10-8-16(9-11-20)19-12-14-32-22(15-19)33-27(37)18-6-4-17(5-7-18)23-24(25(29)36)35(30)26(34-23)21-3-1-2-13-31-21/h7-16,18,24H,4-6,17,35H2,1-3H3,(H2,34,41)(H,36,37,42);4-12,14-15,21,31H,1-3,13,30H2,(H2,29,36)(H,32,33,37)/t24-;21-/m00/s1.
What are the key properties of 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate?
3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate has a molecular weight of 1132.13 g/mol, XLogP of 9.94, 12 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 167586623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).