hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride

C42H37ClN10O7 — CID 172952950

About hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride

hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride (PubChem CID 172952950) has the molecular formula C42H37ClN10O7 and a molecular weight of 829.27 g/mol. Its IUPAC name is hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride
• PubChem CID: 172952950
• Molecular Formula: C42H37ClN10O7
• Molecular Weight: 829.27 g/mol
• Exact Mass: 828.25
• IUPAC Name: hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride
• SMILES: COC(=O)c1cccc(-n2ncc3ccc(-c4cccc(/C(C)=N/O)n4)cc32)n1.COC(=O)c1cccc(-n2ncc3ccc(-c4cccc(C(C)=O)n4)cc32)n1.Cl.NO
• InChI: InChI=1S/C21H17N5O3.C21H16N4O3.ClH.H3NO/c1-13(25-28)16-5-3-6-17(23-16)14-9-10-15-12-22-26(19(15)11-14)20-8-4-7-18(24-20)21(27)29-2;1-13(26)16-5-3-6-17(23-16)14-9-10-15-12-22-25(19(15)11-14)20-8-4-7-18(24-20)21(27)28-2;;1-2/h3-12,28H,1-2H3;3-12H,1-2H3;1H;2H,1H2/b25-13+
• InChIKey: MRGMRRZMZSAPNV-STJNQAMVSA-N
• XLogP: 6.70
• TPSA: 235.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	829.27
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride?

The IUPAC name of hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride (CID 172952950) is hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride.

What is the SMILES notation for hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride?

The canonical SMILES for hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride is COC(=O)c1cccc(-n2ncc3ccc(-c4cccc(/C(C)=N/O)n4)cc32)n1.COC(=O)c1cccc(-n2ncc3ccc(-c4cccc(C(C)=O)n4)cc32)n1.Cl.NO.

What is the InChIKey of hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride?

The InChIKey is MRGMRRZMZSAPNV-STJNQAMVSA-N. The full InChI is InChI=1S/C21H17N5O3.C21H16N4O3.ClH.H3NO/c1-13(25-28)16-5-3-6-17(23-16)14-9-10-15-12-22-26(19(15)11-14)20-8-4-7-18(24-20)21(27)29-2;1-13(26)16-5-3-6-17(23-16)14-9-10-15-12-22-25(19(15)11-14)20-8-4-7-18(24-20)21(27)28-2;;1-2/h3-12,28H,1-2H3;3-12H,1-2H3;1H;2H,1H2/b25-13+;;;.

What are the key properties of hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride?

hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride has a molecular weight of 829.27 g/mol, XLogP of 6.70, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for hydroxylamine;methyl 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carboxylate;methyl 6-[6-[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 172952950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).