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

C20H25FN4O — CID 70232875

IUPAC[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone
SMILESCC1=C(C(=O)N2CCN(c3ncc(C4CC4)cc3C)CC2)C=NC(F)C1
InChIInChI=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
InChIKeyURQFAXJLXBRPIL-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.00
Rot. Bonds3

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 CID70232875
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)methanone
SMILESCC1=C(C(=O)N2CCN(c3ncc(C4CC4)cc3C)CC2)C=NC(F)C1
InChIInChI=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
InChIKeyURQFAXJLXBRPIL-UHFFFAOYSA-N
XLogP3.00
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).