N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide

C29H29N7O2 — CID 171521114

About N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide

N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide (PubChem CID 171521114) has the molecular formula C29H29N7O2 and a molecular weight of 507.60 g/mol. Its IUPAC name is N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide.

Molecular Properties

• Compound Name: N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide
• PubChem CID: 171521114
• Molecular Formula: C29H29N7O2
• Molecular Weight: 507.60 g/mol
• Exact Mass: 507.24
• IUPAC Name: N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide
• SMILES: C=CC(=O)N(C)C1CN(c2ccc(-c3cc(-c4cnn(C5CCOCC5)c4)cn4ncc(C#N)c34)cc2)C1
• InChI: InChI=1S/C29H29N7O2/c1-3-28(37)33(2)26-18-34(19-26)24-6-4-20(5-7-24)27-12-21(16-36-29(27)22(13-30)14-32-36)23-15-31-35(17-23)25-8-10-38-11-9-25/h3-7,12,14-17,25-26H,1,8-11,18-19H2,2H3
• InChIKey: SPDVWYJOARWAEO-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 91.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide?

The IUPAC name of N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide (CID 171521114) is N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide.

What is the SMILES notation for N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide?

The canonical SMILES for N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide is C=CC(=O)N(C)C1CN(c2ccc(-c3cc(-c4cnn(C5CCOCC5)c4)cn4ncc(C#N)c34)cc2)C1.

What is the InChIKey of N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide?

The InChIKey is SPDVWYJOARWAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O2/c1-3-28(37)33(2)26-18-34(19-26)24-6-4-20(5-7-24)27-12-21(16-36-29(27)22(13-30)14-32-36)23-15-31-35(17-23)25-8-10-38-11-9-25/h3-7,12,14-17,25-26H,1,8-11,18-19H2,2H3.

What are the key properties of N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide?

N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide has a molecular weight of 507.60 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 171521114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).