6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide

C23H22ClN5O4 — CID 134588438

About 6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide

6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide (PubChem CID 134588438) has the molecular formula C23H22ClN5O4 and a molecular weight of 467.91 g/mol. Its IUPAC name is 6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide
• PubChem CID: 134588438
• Molecular Formula: C23H22ClN5O4
• Molecular Weight: 467.91 g/mol
• Exact Mass: 467.14
• IUPAC Name: 6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide
• SMILES: O=C(NC1CC2(COC2)C1)c1ccc(OCc2c(-c3ccc(Cl)nc3)noc2C2CC2)nn1
• InChI: InChI=1S/C23H22ClN5O4/c24-18-5-3-14(9-25-18)20-16(21(33-29-20)13-1-2-13)10-32-19-6-4-17(27-28-19)22(30)26-15-7-23(8-15)11-31-12-23/h3-6,9,13,15H,1-2,7-8,10-12H2,(H,26,30)
• InChIKey: AVPMETBBKHOJBE-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 112.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.91
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide?

The IUPAC name of 6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide (CID 134588438) is 6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide.

What is the SMILES notation for 6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide?

The canonical SMILES for 6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide is O=C(NC1CC2(COC2)C1)c1ccc(OCc2c(-c3ccc(Cl)nc3)noc2C2CC2)nn1.

What is the InChIKey of 6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide?

The InChIKey is AVPMETBBKHOJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O4/c24-18-5-3-14(9-25-18)20-16(21(33-29-20)13-1-2-13)10-32-19-6-4-17(27-28-19)22(30)26-15-7-23(8-15)11-31-12-23/h3-6,9,13,15H,1-2,7-8,10-12H2,(H,26,30).

What are the key properties of 6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide?

6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide has a molecular weight of 467.91 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-(6-chloro-3-pyridinyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 134588438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).