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

C49H53Cl2F3N14O7 — CID 167559017

About 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

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 (PubChem CID 167559017) has the molecular formula C49H53Cl2F3N14O7 and a molecular weight of 1077.95 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 167559017
• Molecular Formula: C49H53Cl2F3N14O7
• Molecular Weight: 1077.95 g/mol
• Exact Mass: 1076.36
• IUPAC Name: 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
• SMILES: CC(C)(C)OC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2)c(C(N)=O)n1N.NC(=O)c1c(-c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2)nc([C@@H]2CCCCN2)n1N.O=CC(F)(F)F
• InChI: InChI=1S/C26H30ClN7O4.C21H22ClN7O2.C2HF3O/c1-26(2,3)38-25(37)33-13-5-4-6-18(33)23-32-20(21(22(28)35)34(23)29)15-7-9-16(10-8-15)24(36)31-19-12-11-17(27)14-30-19;22-14-8-9-16(26-11-14)27-21(31)13-6-4-12(5-7-13)17-18(19(23)30)29(24)20(28-17)15-3-1-2-10-25-15;3-2(4,5)1-6/h7-12,14,18H,4-6,13,29H2,1-3H3,(H2,28,35)(H,30,31,36);4-9,11,15,25H,1-3,10,24H2,(H2,23,30)(H,26,27,31);1H/t18-;15-;/m00./s1
• InChIKey: DJXXVFFAMIRGAI-SVLZSBBLSA-N
• XLogP: 7.35
• TPSA: 316.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1077.95
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2)c(C(N)=O)n1N.NC(=O)c1c(-c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2)nc([C@@H]2CCCCN2)n1N.O=CC(F)(F)F.

What is the InChIKey of 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?

The InChIKey is DJXXVFFAMIRGAI-SVLZSBBLSA-N. The full InChI is InChI=1S/C26H30ClN7O4.C21H22ClN7O2.C2HF3O/c1-26(2,3)38-25(37)33-13-5-4-6-18(33)23-32-20(21(22(28)35)34(23)29)15-7-9-16(10-8-15)24(36)31-19-12-11-17(27)14-30-19;22-14-8-9-16(26-11-14)27-21(31)13-6-4-12(5-7-13)17-18(19(23)30)29(24)20(28-17)15-3-1-2-10-25-15;3-2(4,5)1-6/h7-12,14,18H,4-6,13,29H2,1-3H3,(H2,28,35)(H,30,31,36);4-9,11,15,25H,1-3,10,24H2,(H2,23,30)(H,26,27,31);1H/t18-;15-;/m00./s1.

What are the key properties of 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?

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 has a molecular weight of 1077.95 g/mol, XLogP of 7.35, 10 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 167559017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).