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

C51H62N14O6 — CID 167674083

IUPAC3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
SMILESCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n(N)c3C(N)=O)cc2)c1.CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCNC4)n(N)c3C(N)=O)cc2)c1
InChIInChI=1S/C28H35N7O4.C23H27N7O2/c1-5-17-12-13-31-21(15-17)32-26(37)19-10-8-18(9-11-19)22-23(24(29)36)35(30)25(33-22)20-7-6-14-34(16-20)27(38)39-28(2,3)4;1-2-14-9-11-27-18(12-14)28-23(32)16-7-5-15(6-8-16)19-20(21(24)31)30(25)22(29-19)17-4-3-10-26-13-17/h8-13,15,20H,5-7,14,16,30H2,1-4H3,(H2,29,36)(H,31,32,37);5-9,11-12,17,26H,2-4,10,13,25H2,1H3,(H2,24,31)(H,27,28,32)/t20-;17-/m11/s1
InChIKeyUOEAXOBHLGPJLV-GPIYMFQDSA-N
MW967.15 g/mol
LogP5.73
Rot. Bonds12

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

3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate (PubChem CID 167674083) has the molecular formula C51H62N14O6 and a molecular weight of 967.15 g/mol. Its IUPAC name is 3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
PubChem CID167674083
Molecular FormulaC51H62N14O6
Molecular Weight967.15 g/mol
Exact Mass966.50
IUPAC Name3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
SMILESCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n(N)c3C(N)=O)cc2)c1.CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCNC4)n(N)c3C(N)=O)cc2)c1
InChIInChI=1S/C28H35N7O4.C23H27N7O2/c1-5-17-12-13-31-21(15-17)32-26(37)19-10-8-18(9-11-19)22-23(24(29)36)35(30)25(33-22)20-7-6-14-34(16-20)27(38)39-28(2,3)4;1-2-14-9-11-27-18(12-14)28-23(32)16-7-5-15(6-8-16)19-20(21(24)31)30(25)22(29-19)17-4-3-10-26-13-17/h8-13,15,20H,5-7,14,16,30H2,1-4H3,(H2,29,36)(H,31,32,37);5-9,11-12,17,26H,2-4,10,13,25H2,1H3,(H2,24,31)(H,27,28,32)/t20-;17-/m11/s1
InChIKeyUOEAXOBHLGPJLV-GPIYMFQDSA-N
XLogP5.73
TPSA299.41 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500967.15
LogP ≤ 55.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

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

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Launch Full Analysis

Related Compounds

tert-butyl 3-[1-amino-5-ethoxycarbonyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 175437765
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
3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[3.3]heptan-6-yl]imidazole-4-carboxylic acid;tert-butyl 6-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 167624975
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 2-[1-amino-5-carbamoyl-4-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylate
CID 155307510
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
3-amino-2-[1-(2-cyanoacetyl)piperidin-2-yl]-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazole-4-carboxamide
CID 175072920
3-amino-2-[(2S)-1-but-2-ynylpiperidin-2-yl]-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazole-4-carboxamide
CID 175437713
3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-1-(3-methylbut-2-enoyl)pyrrolidin-2-yl]imidazole-4-carboxamide;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]imidazole-4-carboxamide;3-methylbut-2-enoyl chloride
CID 167627471
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
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-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of 3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate (CID 167674083) is 3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for 3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for 3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate is CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n(N)c3C(N)=O)cc2)c1.CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCNC4)n(N)c3C(N)=O)cc2)c1.
What is the InChIKey of 3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate?
The InChIKey is UOEAXOBHLGPJLV-GPIYMFQDSA-N. The full InChI is InChI=1S/C28H35N7O4.C23H27N7O2/c1-5-17-12-13-31-21(15-17)32-26(37)19-10-8-18(9-11-19)22-23(24(29)36)35(30)25(33-22)20-7-6-14-34(16-20)27(38)39-28(2,3)4;1-2-14-9-11-27-18(12-14)28-23(32)16-7-5-15(6-8-16)19-20(21(24)31)30(25)22(29-19)17-4-3-10-26-13-17/h8-13,15,20H,5-7,14,16,30H2,1-4H3,(H2,29,36)(H,31,32,37);5-9,11-12,17,26H,2-4,10,13,25H2,1H3,(H2,24,31)(H,27,28,32)/t20-;17-/m11/s1.
What are the key properties of 3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate?
3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate has a molecular weight of 967.15 g/mol, XLogP of 5.73, 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-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(3R)-piperidin-3-yl]imidazole-4-carboxamide;tert-butyl (3R)-3-[1-amino-5-carbamoyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 167674083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).