[4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone

C23H23FN4O — CID 163385820

IUPAC[4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
SMILESCc1ccc(CC2(F)CCN(C(=O)c3cccnc3-c3ccncc3)CC2)nc1
InChIInChI=1S/C23H23FN4O/c1-17-4-5-19(27-16-17)15-23(24)8-13-28(14-9-23)22(29)20-3-2-10-26-21(20)18-6-11-25-12-7-18/h2-7,10-12,16H,8-9,13-15H2,1H3
InChIKeyGLSVKZJYGCURSP-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.03
Rot. Bonds4

About [4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone

[4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone (PubChem CID 163385820) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is [4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
PubChem CID163385820
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name[4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
SMILESCc1ccc(CC2(F)CCN(C(=O)c3cccnc3-c3ccncc3)CC2)nc1
InChIInChI=1S/C23H23FN4O/c1-17-4-5-19(27-16-17)15-23(24)8-13-28(14-9-23)22(29)20-3-2-10-26-21(20)18-6-11-25-12-7-18/h2-7,10-12,16H,8-9,13-15H2,1H3
InChIKeyGLSVKZJYGCURSP-UHFFFAOYSA-N
XLogP4.03
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone?
The IUPAC name of [4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone (CID 163385820) is [4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone is Cc1ccc(CC2(F)CCN(C(=O)c3cccnc3-c3ccncc3)CC2)nc1.
What is the InChIKey of [4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone?
The InChIKey is GLSVKZJYGCURSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-17-4-5-19(27-16-17)15-23(24)8-13-28(14-9-23)22(29)20-3-2-10-26-21(20)18-6-11-25-12-7-18/h2-7,10-12,16H,8-9,13-15H2,1H3.
What are the key properties of [4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone?
[4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone has a molecular weight of 390.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 163385820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).