[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone

C20H25FN4O — CID 70232875

About [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone

[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone (PubChem CID 70232875) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone.

Molecular Properties

• Compound Name: [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone
• PubChem CID: 70232875
• Molecular Formula: C20H25FN4O
• Molecular Weight: 356.45 g/mol
• Exact Mass: 356.20
• IUPAC Name: [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone
• SMILES: CC1=C(C(=O)N2CCN(c3ncc(C4CC4)cc3C)CC2)C=NC(F)C1
• InChI: InChI=1S/C20H25FN4O/c1-13-10-18(21)22-12-17(13)20(26)25-7-5-24(6-8-25)19-14(2)9-16(11-23-19)15-3-4-15/h9,11-12,15,18H,3-8,10H2,1-2H3
• InChIKey: URQFAXJLXBRPIL-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 48.80 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.45
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone?

The IUPAC name of [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone (CID 70232875) is [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone.

What is the SMILES notation for [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone?

The canonical SMILES for [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone is CC1=C(C(=O)N2CCN(c3ncc(C4CC4)cc3C)CC2)C=NC(F)C1.

What is the InChIKey of [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone?

The InChIKey is URQFAXJLXBRPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-13-10-18(21)22-12-17(13)20(26)25-7-5-24(6-8-25)19-14(2)9-16(11-23-19)15-3-4-15/h9,11-12,15,18H,3-8,10H2,1-2H3.

What are the key properties of [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone?

[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone has a molecular weight of 356.45 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone is sourced from PubChem (CID 70232875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).