hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride

C46H45ClN10O3 — CID 172927548

About hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride

hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride (PubChem CID 172927548) has the molecular formula C46H45ClN10O3 and a molecular weight of 821.39 g/mol. Its IUPAC name is hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride.

Molecular Properties

• Compound Name: hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride
• PubChem CID: 172927548
• Molecular Formula: C46H45ClN10O3
• Molecular Weight: 821.39 g/mol
• Exact Mass: 820.34
• IUPAC Name: hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride
• SMILES: C=C(C)c1cc(-c2cccc(/C(C)=N\O)n2)cc2c1cnn2-c1cccc(C)n1.C=C(C)c1cc(-c2cccc(C(C)=O)n2)cc2c1cnn2-c1cccc(C)n1.Cl.NO
• InChI: InChI=1S/C23H21N5O.C23H20N4O.ClH.H3NO/c1-14(2)18-11-17(21-9-6-8-20(26-21)16(4)27-29)12-22-19(18)13-24-28(22)23-10-5-7-15(3)25-23;1-14(2)18-11-17(21-9-6-8-20(26-21)16(4)28)12-22-19(18)13-24-27(22)23-10-5-7-15(3)25-23;;1-2/h5-13,29H,1H2,2-4H3;5-13H,1H2,2-4H3;1H;2H,1H2/b27-16-
• InChIKey: SOODCMXAIAERPJ-VOOGMFBUSA-N
• XLogP: 9.80
• TPSA: 183.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	821.39
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride?

The IUPAC name of hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride (CID 172927548) is hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride.

What is the SMILES notation for hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride?

The canonical SMILES for hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride is C=C(C)c1cc(-c2cccc(/C(C)=N\O)n2)cc2c1cnn2-c1cccc(C)n1.C=C(C)c1cc(-c2cccc(C(C)=O)n2)cc2c1cnn2-c1cccc(C)n1.Cl.NO.

What is the InChIKey of hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride?

The InChIKey is SOODCMXAIAERPJ-VOOGMFBUSA-N. The full InChI is InChI=1S/C23H21N5O.C23H20N4O.ClH.H3NO/c1-14(2)18-11-17(21-9-6-8-20(26-21)16(4)27-29)12-22-19(18)13-24-28(22)23-10-5-7-15(3)25-23;1-14(2)18-11-17(21-9-6-8-20(26-21)16(4)28)12-22-19(18)13-24-27(22)23-10-5-7-15(3)25-23;;1-2/h5-13,29H,1H2,2-4H3;5-13H,1H2,2-4H3;1H;2H,1H2/b27-16-;;;.

What are the key properties of hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride?

hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride has a molecular weight of 821.39 g/mol, XLogP of 9.80, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for hydroxylamine;1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethanone;(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 172927548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).