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

C28H30N6O3 — CID 155296343

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

4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(3-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155296343) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(3-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(3-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 155296343
• Molecular Formula: C28H30N6O3
• Molecular Weight: 498.59 g/mol
• Exact Mass: 498.24
• IUPAC Name: 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(3-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2CC(N)(c3ccc(-c4cc(OCC(C)CO)cn5ncc(C#N)c45)cc3)C2)cn1
• InChI: InChI=1S/C28H30N6O3/c1-19(15-35)16-37-24-9-25(27-22(10-29)12-32-34(27)14-24)21-4-6-23(7-5-21)28(30)17-33(18-28)13-20-3-8-26(36-2)31-11-20/h3-9,11-12,14,19,35H,13,15-18,30H2,1-2H3
• InChIKey: WEGYQSPOFHYHMD-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 121.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.59
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(3-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155296343) is 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(3-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(3-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2CC(N)(c3ccc(-c4cc(OCC(C)CO)cn5ncc(C#N)c45)cc3)C2)cn1.

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

The InChIKey is WEGYQSPOFHYHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-19(15-35)16-37-24-9-25(27-22(10-29)12-32-34(27)14-24)21-4-6-23(7-5-21)28(30)17-33(18-28)13-20-3-8-26(36-2)31-11-20/h3-9,11-12,14,19,35H,13,15-18,30H2,1-2H3.

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

4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(3-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 498.59 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-amino-1-[(6-methoxy-3-pyridinyl)methyl]azetidin-3-yl]phenyl]-6-(3-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155296343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).