4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol

C23H25N9O2 — CID 123917924

About 4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol

4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol (PubChem CID 123917924) has the molecular formula C23H25N9O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol.

Molecular Properties

• Compound Name: 4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol
• PubChem CID: 123917924
• Molecular Formula: C23H25N9O2
• Molecular Weight: 459.51 g/mol
• Exact Mass: 459.21
• IUPAC Name: 4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol
• SMILES: NNc1ncc(Nc2ccnc(NC3COCC3O)c2)nc1NCc1ccc2ncccc2c1
• InChI: InChI=1S/C23H25N9O2/c24-32-23-22(27-10-14-3-4-17-15(8-14)2-1-6-25-17)31-21(11-28-23)29-16-5-7-26-20(9-16)30-18-12-34-13-19(18)33/h1-9,11,18-19,33H,10,12-13,24H2,(H,28,32)(H3,26,27,29,30,31)
• InChIKey: HBSIMLBNAFHCFW-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 155.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	459.51
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol?

The IUPAC name of 4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol (CID 123917924) is 4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol.

What is the SMILES notation for 4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol?

The canonical SMILES for 4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol is NNc1ncc(Nc2ccnc(NC3COCC3O)c2)nc1NCc1ccc2ncccc2c1.

What is the InChIKey of 4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol?

The InChIKey is HBSIMLBNAFHCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O2/c24-32-23-22(27-10-14-3-4-17-15(8-14)2-1-6-25-17)31-21(11-28-23)29-16-5-7-26-20(9-16)30-18-12-34-13-19(18)33/h1-9,11,18-19,33H,10,12-13,24H2,(H,28,32)(H3,26,27,29,30,31).

What are the key properties of 4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol?

4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol has a molecular weight of 459.51 g/mol, XLogP of 2.23, 8 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol is sourced from PubChem (CID 123917924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).