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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)indazole

C54H72N14O5 — CID 164970597

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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)indazole (PubChem CID 164970597) has the molecular formula C54H72N14O5 and a molecular weight of 997.26 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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)indazole
• PubChem CID: 164970597
• Molecular Formula: C54H72N14O5
• Molecular Weight: 997.26 g/mol
• Exact Mass: 996.58
• 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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)indazole
• SMILES: CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3nn(C4CCN(C)C4)cc3c2)cnc1N.CCc1cc(NC(=O)C(=O)O)cnc1N.C[C@H]1CC[C@H](c2ccc3nn(C4CCN(C)C4)cc3c2)NC1
• InChI: InChI=1S/C27H35N7O2.C18H26N4.C9H11N3O3/c1-4-18-12-21(13-29-25(18)28)30-26(35)27(36)33-14-17(2)5-8-24(33)19-6-7-23-20(11-19)15-34(31-23)22-9-10-32(3)16-22;1-13-3-5-17(19-10-13)14-4-6-18-15(9-14)11-22(20-18)16-7-8-21(2)12-16;1-2-5-3-6(4-11-7(5)10)12-8(13)9(14)15/h6-7,11-13,15,17,22,24H,4-5,8-10,14,16H2,1-3H3,(H2,28,29)(H,30,35);4,6,9,11,13,16-17,19H,3,5,7-8,10,12H2,1-2H3;3-4H,2H2,1H3,(H2,10,11)(H,12,13)(H,14,15)/t17-,22?,24+;13-,16?,17+;/m00./s1
• InChIKey: DBODRKXNGGSFOJ-LIYXCTMISA-N
• XLogP: 6.61
• TPSA: 247.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	997.26
LogP ≤ 5	6.61
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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)indazole (CID 164970597) 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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)indazole is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3nn(C4CCN(C)C4)cc3c2)cnc1N.CCc1cc(NC(=O)C(=O)O)cnc1N.C[C@H]1CC[C@H](c2ccc3nn(C4CCN(C)C4)cc3c2)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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)indazole?

The InChIKey is DBODRKXNGGSFOJ-LIYXCTMISA-N. The full InChI is InChI=1S/C27H35N7O2.C18H26N4.C9H11N3O3/c1-4-18-12-21(13-29-25(18)28)30-26(35)27(36)33-14-17(2)5-8-24(33)19-6-7-23-20(11-19)15-34(31-23)22-9-10-32(3)16-22;1-13-3-5-17(19-10-13)14-4-6-18-15(9-14)11-22(20-18)16-7-8-21(2)12-16;1-2-5-3-6(4-11-7(5)10)12-8(13)9(14)15/h6-7,11-13,15,17,22,24H,4-5,8-10,14,16H2,1-3H3,(H2,28,29)(H,30,35);4,6,9,11,13,16-17,19H,3,5,7-8,10,12H2,1-2H3;3-4H,2H2,1H3,(H2,10,11)(H,12,13)(H,14,15)/t17-,22?,24+;13-,16?,17+;/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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)indazole has a molecular weight of 997.26 g/mol, XLogP of 6.61, 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-methylpyrrolidin-3-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetamide;5-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)indazole is sourced from PubChem (CID 164970597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).