4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine

C54H59FN14O6 — CID 167641932

About 4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine

4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine (PubChem CID 167641932) has the molecular formula C54H59FN14O6 and a molecular weight of 1019.16 g/mol. Its IUPAC name is 4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine.

Molecular Properties

• Compound Name: 4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine
• PubChem CID: 167641932
• Molecular Formula: C54H59FN14O6
• Molecular Weight: 1019.16 g/mol
• Exact Mass: 1018.47
• IUPAC Name: 4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine
• SMILES: CC(C)(O)COc1cc(-c2ccc(F)nc2)c2c(C#N)cnn2c1.COc1ccc(CC2(N)CN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)C2)cn1.COc1ccc(CC2(N)CNC2)cn1
• InChI: InChI=1S/C27H29N7O3.C17H15FN4O2.C10H15N3O/c1-26(2,35)17-37-21-8-22(25-20(10-28)13-32-34(25)14-21)19-5-6-23(30-12-19)33-15-27(29,16-33)9-18-4-7-24(36-3)31-11-18;1-17(2,23)10-24-13-5-14(11-3-4-15(18)20-7-11)16-12(6-19)8-21-22(16)9-13;1-14-9-3-2-8(5-13-9)4-10(11)6-12-7-10/h4-8,11-14,35H,9,15-17,29H2,1-3H3;3-5,7-9,23H,10H2,1-2H3;2-3,5,12H,4,6-7,11H2,1H3
• InChIKey: PHAJLBNBNUZYDI-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 278.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1019.16
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine?

The IUPAC name of 4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine (CID 167641932) is 4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine.

What is the SMILES notation for 4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine?

The canonical SMILES for 4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine is CC(C)(O)COc1cc(-c2ccc(F)nc2)c2c(C#N)cnn2c1.COc1ccc(CC2(N)CN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)C2)cn1.COc1ccc(CC2(N)CNC2)cn1.

What is the InChIKey of 4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine?

The InChIKey is PHAJLBNBNUZYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O3.C17H15FN4O2.C10H15N3O/c1-26(2,35)17-37-21-8-22(25-20(10-28)13-32-34(25)14-21)19-5-6-23(30-12-19)33-15-27(29,16-33)9-18-4-7-24(36-3)31-11-18;1-17(2,23)10-24-13-5-14(11-3-4-15(18)20-7-11)16-12(6-19)8-21-22(16)9-13;1-14-9-3-2-8(5-13-9)4-10(11)6-12-7-10/h4-8,11-14,35H,9,15-17,29H2,1-3H3;3-5,7-9,23H,10H2,1-2H3;2-3,5,12H,4,6-7,11H2,1H3.

What are the key properties of 4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine?

4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine has a molecular weight of 1019.16 g/mol, XLogP of 5.07, 15 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[3-amino-3-[(6-methoxy-3-pyridinyl)methyl]azetidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-amine is sourced from PubChem (CID 167641932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).