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

C23H21N5O — CID 136967737

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

(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine (PubChem CID 136967737) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is (NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine.

Molecular Properties

• Compound Name: (NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
• PubChem CID: 136967737
• Molecular Formula: C23H21N5O
• Molecular Weight: 383.46 g/mol
• Exact Mass: 383.17
• IUPAC Name: (NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
• SMILES: C=C(C)c1cc(-c2cccc(/C(C)=N\O)n2)cc2c1cnn2-c1cccc(C)n1
• InChI: InChI=1S/C23H21N5O/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/h5-13,29H,1H2,2-4H3/b27-16-
• InChIKey: VOVGIIPHTWFUJB-YUMHPJSZSA-N
• XLogP: 5.02
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.46
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of (NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine (CID 136967737) is (NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine.

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

The canonical SMILES for (NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine is C=C(C)c1cc(-c2cccc(/C(C)=N\O)n2)cc2c1cnn2-c1cccc(C)n1.

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

The InChIKey is VOVGIIPHTWFUJB-YUMHPJSZSA-N. The full InChI is InChI=1S/C23H21N5O/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/h5-13,29H,1H2,2-4H3/b27-16-.

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

(NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine has a molecular weight of 383.46 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (NZ)-N-[1-[6-[1-(6-methyl-2-pyridinyl)-4-prop-1-en-2-ylindazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine is sourced from PubChem (CID 136967737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).