2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole

C90H106N24O13 — CID 165091747

About 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole (PubChem CID 165091747) has the molecular formula C90H106N24O13 and a molecular weight of 1731.99 g/mol. Its IUPAC name is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole.

Molecular Properties

• Compound Name: 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole
• PubChem CID: 165091747
• Molecular Formula: C90H106N24O13
• Molecular Weight: 1731.99 g/mol
• Exact Mass: 1730.84
• IUPAC Name: 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole
• SMILES: C.C.Cc1cc([C@@H]2CC[C@@H](C)CN2C(=O)C(=O)Nc2cncc(C(N)=O)c2)cc2cn[nH]c12.Cc1cc([C@H]2CC[C@H](C)CN2)cc2cn[nH]c12.Cc1cc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2cncc(C(N)=O)c2)cc2cn[nH]c12.Cc1cc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2cncc(C(N)=O)c2)cc2cn[nH]c12.NC(=O)c1cncc(NC(=O)C(=O)O)c1
• InChI: InChI=1S/3C22H24N6O3.C14H19N3.C8H7N3O4.2CH4/c3*1-12-3-4-18(14-5-13(2)19-15(6-14)9-25-27-19)28(11-12)22(31)21(30)26-17-7-16(20(23)29)8-24-10-17;1-9-3-4-13(15-7-9)11-5-10(2)14-12(6-11)8-16-17-14;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15;;/h3*5-10,12,18H,3-4,11H2,1-2H3,(H2,23,29)(H,25,27)(H,26,30);5-6,8-9,13,15H,3-4,7H2,1-2H3,(H,16,17);1-3H,(H2,9,12)(H,11,13)(H,14,15);2*1H4/t3*12-,18+;9-,13+;;;/m1000.../s1
• InChIKey: WVCPDFIHPLPACS-OINLKVNUSA-N
• XLogP: 10.32
• 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	1731.99
LogP ≤ 5	10.32
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;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole?

The IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole (CID 165091747) is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole.

What is the SMILES notation for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole?

The canonical SMILES for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole is C.C.Cc1cc([C@@H]2CC[C@@H](C)CN2C(=O)C(=O)Nc2cncc(C(N)=O)c2)cc2cn[nH]c12.Cc1cc([C@H]2CC[C@H](C)CN2)cc2cn[nH]c12.Cc1cc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2cncc(C(N)=O)c2)cc2cn[nH]c12.Cc1cc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2cncc(C(N)=O)c2)cc2cn[nH]c12.NC(=O)c1cncc(NC(=O)C(=O)O)c1.

What is the InChIKey of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole?

The InChIKey is WVCPDFIHPLPACS-OINLKVNUSA-N. The full InChI is InChI=1S/3C22H24N6O3.C14H19N3.C8H7N3O4.2CH4/c3*1-12-3-4-18(14-5-13(2)19-15(6-14)9-25-27-19)28(11-12)22(31)21(30)26-17-7-16(20(23)29)8-24-10-17;1-9-3-4-13(15-7-9)11-5-10(2)14-12(6-11)8-16-17-14;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15;;/h3*5-10,12,18H,3-4,11H2,1-2H3,(H2,23,29)(H,25,27)(H,26,30);5-6,8-9,13,15H,3-4,7H2,1-2H3,(H,16,17);1-3H,(H2,9,12)(H,11,13)(H,14,15);2*1H4/t3*12-,18+;9-,13+;;;/m1000.../s1.

What are the key properties of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole?

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole has a molecular weight of 1731.99 g/mol, XLogP of 10.32, 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;methane;5-[[2-[(2S,5R)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;bis(5-[[2-[(2R,5S)-5-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole is sourced from PubChem (CID 165091747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).