N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide

C25H23N7O — CID 171521008

About N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide

N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide (PubChem CID 171521008) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide
• PubChem CID: 171521008
• Molecular Formula: C25H23N7O
• Molecular Weight: 437.51 g/mol
• Exact Mass: 437.20
• IUPAC Name: N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide
• SMILES: C=CC(=O)NC1(C)CN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cc2)C1
• InChI: InChI=1S/C25H23N7O/c1-4-23(33)29-25(2)15-31(16-25)21-7-5-17(6-8-21)22-9-18(20-12-27-30(3)13-20)14-32-24(22)19(10-26)11-28-32/h4-9,11-14H,1,15-16H2,2-3H3,(H,29,33)
• InChIKey: HYRJMNOXKQHCHO-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 91.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.51
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide?

The IUPAC name of N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide (CID 171521008) is N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide.

What is the SMILES notation for N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide?

The canonical SMILES for N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide is C=CC(=O)NC1(C)CN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cc2)C1.

What is the InChIKey of N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide?

The InChIKey is HYRJMNOXKQHCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-4-23(33)29-25(2)15-31(16-25)21-7-5-17(6-8-21)22-9-18(20-12-27-30(3)13-20)14-32-24(22)19(10-26)11-28-32/h4-9,11-14H,1,15-16H2,2-3H3,(H,29,33).

What are the key properties of N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide?

N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide has a molecular weight of 437.51 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide is sourced from PubChem (CID 171521008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).