3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole

C88H94N20O13 — CID 165071243

About 3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole

3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole (PubChem CID 165071243) has the molecular formula C88H94N20O13 and a molecular weight of 1639.85 g/mol. Its IUPAC name is 3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole.

Molecular Properties

• Compound Name: 3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole
• PubChem CID: 165071243
• Molecular Formula: C88H94N20O13
• Molecular Weight: 1639.85 g/mol
• Exact Mass: 1638.73
• IUPAC Name: 3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole
• SMILES: C[C@@H]1CC[C@@H](c2cccc3[nH]ncc23)N(C(=O)C(=O)Cc2cncc(C(N)=O)c2)C1.C[C@@H]1CC[C@@H](c2cccc3[nH]ncc23)N(C(=O)C(=O)Cc2cncc(C(N)=O)c2)C1.C[C@@H]1CC[C@@H](c2cccc3[nH]ncc23)NC1.C[C@H]1CC[C@H](c2cccc3[nH]ncc23)N(C(=O)C(=O)Cc2cncc(C(N)=O)c2)C1.NC(=O)c1cncc(CC(=O)C(=O)O)c1
• InChI: InChI=1S/3C22H23N5O3.C13H17N3.C9H8N2O4/c3*1-13-5-6-19(16-3-2-4-18-17(16)11-25-26-18)27(12-13)22(30)20(28)8-14-7-15(21(23)29)10-24-9-14;1-9-5-6-12(14-7-9)10-3-2-4-13-11(10)8-15-16-13;10-8(13)6-1-5(3-11-4-6)2-7(12)9(14)15/h3*2-4,7,9-11,13,19H,5-6,8,12H2,1H3,(H2,23,29)(H,25,26);2-4,8-9,12,14H,5-7H2,1H3,(H,15,16);1,3-4H,2H2,(H2,10,13)(H,14,15)/t3*13-,19+;9-,12+;/m1101./s1
• InChIKey: SUINIWUNJJDFFW-XJYVXHQDSA-N
• XLogP: 8.50
• TPSA: 517.18 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1639.85
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole?

The IUPAC name of 3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole (CID 165071243) is 3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole.

What is the SMILES notation for 3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole?

The canonical SMILES for 3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole is C[C@@H]1CC[C@@H](c2cccc3[nH]ncc23)N(C(=O)C(=O)Cc2cncc(C(N)=O)c2)C1.C[C@@H]1CC[C@@H](c2cccc3[nH]ncc23)N(C(=O)C(=O)Cc2cncc(C(N)=O)c2)C1.C[C@@H]1CC[C@@H](c2cccc3[nH]ncc23)NC1.C[C@H]1CC[C@H](c2cccc3[nH]ncc23)N(C(=O)C(=O)Cc2cncc(C(N)=O)c2)C1.NC(=O)c1cncc(CC(=O)C(=O)O)c1.

What is the InChIKey of 3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole?

The InChIKey is SUINIWUNJJDFFW-XJYVXHQDSA-N. The full InChI is InChI=1S/3C22H23N5O3.C13H17N3.C9H8N2O4/c3*1-13-5-6-19(16-3-2-4-18-17(16)11-25-26-18)27(12-13)22(30)20(28)8-14-7-15(21(23)29)10-24-9-14;1-9-5-6-12(14-7-9)10-3-2-4-13-11(10)8-15-16-13;10-8(13)6-1-5(3-11-4-6)2-7(12)9(14)15/h3*2-4,7,9-11,13,19H,5-6,8,12H2,1H3,(H2,23,29)(H,25,26);2-4,8-9,12,14H,5-7H2,1H3,(H,15,16);1,3-4H,2H2,(H2,10,13)(H,14,15)/t3*13-,19+;9-,12+;/m1101./s1.

What are the key properties of 3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole?

3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole has a molecular weight of 1639.85 g/mol, XLogP of 8.50, 20 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole is sourced from PubChem (CID 165071243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).