2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole

C56H76N14O5 — CID 167652954

About 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole

2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole (PubChem CID 167652954) has the molecular formula C56H76N14O5 and a molecular weight of 1025.32 g/mol. Its IUPAC name is 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole.

Molecular Properties

• Compound Name: 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole
• PubChem CID: 167652954
• Molecular Formula: C56H76N14O5
• Molecular Weight: 1025.32 g/mol
• Exact Mass: 1024.61
• IUPAC Name: 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole
• SMILES: CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3nn(C4CCN(C)CC4)cc3c2)cnc1N.CCc1cc(NC(=O)C(=O)O)cnc1N.C[C@H]1CC[C@H](c2ccc3cn(C4CCN(C)CC4)nc3c2)NC1
• InChI: InChI=1S/C28H37N7O2.C19H28N4.C9H11N3O3/c1-4-19-14-22(15-30-26(19)29)31-27(36)28(37)34-16-18(2)5-8-25(34)20-6-7-24-21(13-20)17-35(32-24)23-9-11-33(3)12-10-23;1-14-3-6-18(20-12-14)15-4-5-16-13-23(21-19(16)11-15)17-7-9-22(2)10-8-17;1-2-5-3-6(4-11-7(5)10)12-8(13)9(14)15/h6-7,13-15,17-18,23,25H,4-5,8-12,16H2,1-3H3,(H2,29,30)(H,31,36);4-5,11,13-14,17-18,20H,3,6-10,12H2,1-2H3;3-4H,2H2,1H3,(H2,10,11)(H,12,13)(H,14,15)/t18-,25+;14-,18+;/m00./s1
• InChIKey: QVOIRGRBZNKNJY-HHMHMENGSA-N
• XLogP: 7.39
• TPSA: 247.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1025.32
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole?

The IUPAC name of 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole (CID 167652954) is 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole.

What is the SMILES notation for 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole?

The canonical SMILES for 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3nn(C4CCN(C)CC4)cc3c2)cnc1N.CCc1cc(NC(=O)C(=O)O)cnc1N.C[C@H]1CC[C@H](c2ccc3cn(C4CCN(C)CC4)nc3c2)NC1.

What is the InChIKey of 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole?

The InChIKey is QVOIRGRBZNKNJY-HHMHMENGSA-N. The full InChI is InChI=1S/C28H37N7O2.C19H28N4.C9H11N3O3/c1-4-19-14-22(15-30-26(19)29)31-27(36)28(37)34-16-18(2)5-8-25(34)20-6-7-24-21(13-20)17-35(32-24)23-9-11-33(3)12-10-23;1-14-3-6-18(20-12-14)15-4-5-16-13-23(21-19(16)11-15)17-7-9-22(2)10-8-17;1-2-5-3-6(4-11-7(5)10)12-8(13)9(14)15/h6-7,13-15,17-18,23,25H,4-5,8-12,16H2,1-3H3,(H2,29,30)(H,31,36);4-5,11,13-14,17-18,20H,3,6-10,12H2,1-2H3;3-4H,2H2,1H3,(H2,10,11)(H,12,13)(H,14,15)/t18-,25+;14-,18+;/m00./s1.

What are the key properties of 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole?

2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole has a molecular weight of 1025.32 g/mol, XLogP of 7.39, 8 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole is sourced from PubChem (CID 167652954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).