[(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C23H23FN4O — CID 95830164

IUPAC[(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cn1
InChIInChI=1S/C23H23FN4O/c1-15-11-18(17-6-8-19(24)9-7-17)12-20(27-15)22-5-3-4-10-28(22)23(29)21-14-25-16(2)13-26-21/h6-9,11-14,22H,3-5,10H2,1-2H3/t22-/m1/s1
InChIKeySPJRNCAQJGAIFI-JOCHJYFZSA-N
MW390.46 g/mol
LogP4.66
Rot. Bonds3

About [(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 95830164) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is [(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID95830164
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name[(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cn1
InChIInChI=1S/C23H23FN4O/c1-15-11-18(17-6-8-19(24)9-7-17)12-20(27-15)22-5-3-4-10-28(22)23(29)21-14-25-16(2)13-26-21/h6-9,11-14,22H,3-5,10H2,1-2H3/t22-/m1/s1
InChIKeySPJRNCAQJGAIFI-JOCHJYFZSA-N
XLogP4.66
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 95830164) is [(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cn1.
What is the InChIKey of [(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is SPJRNCAQJGAIFI-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-15-11-18(17-6-8-19(24)9-7-17)12-20(27-15)22-5-3-4-10-28(22)23(29)21-14-25-16(2)13-26-21/h6-9,11-14,22H,3-5,10H2,1-2H3/t22-/m1/s1.
What are the key properties of [(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 390.46 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 95830164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).