N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide

C22H20FN5O — CID 170649386

About N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide

N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide (PubChem CID 170649386) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide
• PubChem CID: 170649386
• Molecular Formula: C22H20FN5O
• Molecular Weight: 389.43 g/mol
• Exact Mass: 389.17
• IUPAC Name: N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide
• SMILES: N#Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(C4(CF)CC4)cc3)n2)nc1
• InChI: InChI=1S/C22H20FN5O/c23-15-22(8-9-22)18-4-1-16(2-5-18)11-21(29)26-20-7-10-28(27-20)14-19-6-3-17(12-24)13-25-19/h1-7,10,13H,8-9,11,14-15H2,(H,26,27,29)
• InChIKey: YKZZWWOEXBEBPO-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 83.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.43
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide?

The IUPAC name of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide (CID 170649386) is N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide.

What is the SMILES notation for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide?

The canonical SMILES for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide is N#Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(C4(CF)CC4)cc3)n2)nc1.

What is the InChIKey of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide?

The InChIKey is YKZZWWOEXBEBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c23-15-22(8-9-22)18-4-1-16(2-5-18)11-21(29)26-20-7-10-28(27-20)14-19-6-3-17(12-24)13-25-19/h1-7,10,13H,8-9,11,14-15H2,(H,26,27,29).

What are the key properties of N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide?

N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide has a molecular weight of 389.43 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(fluoromethyl)cyclopropyl]phenyl]acetamide is sourced from PubChem (CID 170649386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).