2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(5-[[2-[(2R,5S)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2S,5R)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;4-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;methane

C86H94F4N24O13 — CID 165061595

About 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(5-[[2-[(2R,5S)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2S,5R)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;4-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;methane

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(5-[[2-[(2R,5S)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2S,5R)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;4-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;methane (PubChem CID 165061595) has the molecular formula C86H94F4N24O13 and a molecular weight of 1747.84 g/mol. Its IUPAC name is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(5-[[2-[(2R,5S)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2S,5R)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;4-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;methane.

Molecular Properties

• Compound Name: 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(5-[[2-[(2R,5S)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2S,5R)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;4-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;methane
• PubChem CID: 165061595
• Molecular Formula: C86H94F4N24O13
• Molecular Weight: 1747.84 g/mol
• Exact Mass: 1746.74
• IUPAC Name: 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(5-[[2-[(2R,5S)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2S,5R)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;4-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;methane
• SMILES: C.C.C[C@@H]1CC[C@@H](c2ccc3[nH]ncc3c2F)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@H]1CC[C@H](c2ccc3[nH]ncc3c2F)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@H]1CC[C@H](c2ccc3[nH]ncc3c2F)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@H]1CC[C@H](c2ccc3[nH]ncc3c2F)NC1.NC(=O)c1cncc(NC(=O)C(=O)O)c1
• InChI: InChI=1S/3C21H21FN6O3.C13H16FN3.C8H7N3O4.2CH4/c3*1-11-2-5-17(14-3-4-16-15(18(14)22)9-25-27-16)28(10-11)21(31)20(30)26-13-6-12(19(23)29)7-24-8-13;1-8-2-4-11(15-6-8)9-3-5-12-10(13(9)14)7-16-17-12;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15;;/h3*3-4,6-9,11,17H,2,5,10H2,1H3,(H2,23,29)(H,25,27)(H,26,30);3,5,7-8,11,15H,2,4,6H2,1H3,(H,16,17);1-3H,(H2,9,12)(H,11,13)(H,14,15);2*1H4/t3*11-,17+;8-,11+;;;/m1000.../s1
• InChIKey: RHLVNVZQZBPRJY-ORTZITHCSA-N
• XLogP: 9.64
• TPSA: 565.30 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1747.84
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	14
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 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(5-[[2-[(2R,5S)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2S,5R)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;4-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;methane?

The IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(5-[[2-[(2R,5S)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2S,5R)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;4-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;methane (CID 165061595) is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(5-[[2-[(2R,5S)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2S,5R)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;4-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;methane.

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

The canonical SMILES for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(5-[[2-[(2R,5S)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2S,5R)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;4-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;methane is C.C.C[C@@H]1CC[C@@H](c2ccc3[nH]ncc3c2F)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@H]1CC[C@H](c2ccc3[nH]ncc3c2F)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@H]1CC[C@H](c2ccc3[nH]ncc3c2F)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@H]1CC[C@H](c2ccc3[nH]ncc3c2F)NC1.NC(=O)c1cncc(NC(=O)C(=O)O)c1.

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

The InChIKey is RHLVNVZQZBPRJY-ORTZITHCSA-N. The full InChI is InChI=1S/3C21H21FN6O3.C13H16FN3.C8H7N3O4.2CH4/c3*1-11-2-5-17(14-3-4-16-15(18(14)22)9-25-27-16)28(10-11)21(31)20(30)26-13-6-12(19(23)29)7-24-8-13;1-8-2-4-11(15-6-8)9-3-5-12-10(13(9)14)7-16-17-12;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15;;/h3*3-4,6-9,11,17H,2,5,10H2,1H3,(H2,23,29)(H,25,27)(H,26,30);3,5,7-8,11,15H,2,4,6H2,1H3,(H,16,17);1-3H,(H2,9,12)(H,11,13)(H,14,15);2*1H4/t3*11-,17+;8-,11+;;;/m1000.../s1.

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

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(5-[[2-[(2R,5S)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2S,5R)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;4-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;methane has a molecular weight of 1747.84 g/mol, XLogP of 9.64, 12 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(5-[[2-[(2R,5S)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2S,5R)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;4-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;methane is sourced from PubChem (CID 165061595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).