4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate

C66H75FN14O14 — CID 157345809

About 4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate

4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate (PubChem CID 157345809) has the molecular formula C66H75FN14O14 and a molecular weight of 1307.41 g/mol. Its IUPAC name is 4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate.

Molecular Properties

• Compound Name: 4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate
• PubChem CID: 157345809
• Molecular Formula: C66H75FN14O14
• Molecular Weight: 1307.41 g/mol
• Exact Mass: 1306.56
• IUPAC Name: 4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate
• SMILES: COC(=O)C(c1cc(OCCO)no1)C(C)C.COCOc1ccccc1-c1cc(-c2cnn(C(C)c3ccc(F)nc3)c2)c(N)nn1.COCOc1ccccc1-c1cc(-c2cnn(C(C)c3ccc(OCCOc4cc(C(C(=O)OC)C(C)C)on4)nc3)c2)c(N)nn1
• InChI: InChI=1S/C33H37N7O7.C22H21FN6O2.C11H17NO5/c1-20(2)31(33(41)43-5)28-15-30(39-47-28)45-13-12-44-29-11-10-22(16-35-29)21(3)40-18-23(17-36-40)25-14-26(37-38-32(25)34)24-8-6-7-9-27(24)46-19-42-4;1-14(15-7-8-21(23)25-10-15)29-12-16(11-26-29)18-9-19(27-28-22(18)24)17-5-3-4-6-20(17)31-13-30-2;1-7(2)10(11(14)15-3)8-6-9(12-17-8)16-5-4-13/h6-11,14-18,20-21,31H,12-13,19H2,1-5H3,(H2,34,38);3-12,14H,13H2,1-2H3,(H2,24,28);6-7,10,13H,4-5H2,1-3H3
• InChIKey: BGYKPLDWHRYYAA-UHFFFAOYSA-N
• XLogP: 9.61
• TPSA: 354.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1307.41
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate?

The IUPAC name of 4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate (CID 157345809) is 4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate.

What is the SMILES notation for 4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate?

The canonical SMILES for 4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate is COC(=O)C(c1cc(OCCO)no1)C(C)C.COCOc1ccccc1-c1cc(-c2cnn(C(C)c3ccc(F)nc3)c2)c(N)nn1.COCOc1ccccc1-c1cc(-c2cnn(C(C)c3ccc(OCCOc4cc(C(C(=O)OC)C(C)C)on4)nc3)c2)c(N)nn1.

What is the InChIKey of 4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate?

The InChIKey is BGYKPLDWHRYYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N7O7.C22H21FN6O2.C11H17NO5/c1-20(2)31(33(41)43-5)28-15-30(39-47-28)45-13-12-44-29-11-10-22(16-35-29)21(3)40-18-23(17-36-40)25-14-26(37-38-32(25)34)24-8-6-7-9-27(24)46-19-42-4;1-14(15-7-8-21(23)25-10-15)29-12-16(11-26-29)18-9-19(27-28-22(18)24)17-5-3-4-6-20(17)31-13-30-2;1-7(2)10(11(14)15-3)8-6-9(12-17-8)16-5-4-13/h6-11,14-18,20-21,31H,12-13,19H2,1-5H3,(H2,34,38);3-12,14H,13H2,1-2H3,(H2,24,28);6-7,10,13H,4-5H2,1-3H3.

What are the key properties of 4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate?

4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate has a molecular weight of 1307.41 g/mol, XLogP of 9.61, 28 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[1-(6-fluoro-3-pyridinyl)ethyl]pyrazol-4-yl]-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine;methyl 2-[3-[2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate;methyl 2-[3-(2-hydroxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoate is sourced from PubChem (CID 157345809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).