1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone

C28H26FN5O — CID 167370499

IUPAC1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)CCC1c1ccccc1
InChIInChI=1S/C28H26FN5O/c1-19(35)34-18-22(12-13-26(34)20-7-3-2-4-8-20)28-32-25(21-9-6-14-30-17-21)16-27(33-28)31-24-11-5-10-23(29)15-24/h2-11,14-17,22,26H,12-13,18H2,1H3,(H,31,32,33)
InChIKeyYTZNVTADRMLQPT-UHFFFAOYSA-N
MW467.55 g/mol
LogP5.89
Rot. Bonds5

About 1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone

1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone (PubChem CID 167370499) has the molecular formula C28H26FN5O and a molecular weight of 467.55 g/mol. Its IUPAC name is 1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone
PubChem CID167370499
Molecular FormulaC28H26FN5O
Molecular Weight467.55 g/mol
Exact Mass467.21
IUPAC Name1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)CCC1c1ccccc1
InChIInChI=1S/C28H26FN5O/c1-19(35)34-18-22(12-13-26(34)20-7-3-2-4-8-20)28-32-25(21-9-6-14-30-17-21)16-27(33-28)31-24-11-5-10-23(29)15-24/h2-11,14-17,22,26H,12-13,18H2,1H3,(H,31,32,33)
InChIKeyYTZNVTADRMLQPT-UHFFFAOYSA-N
XLogP5.89
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone
CID 167370314
1-[(2S,5R)-2-methyl-5-[4-pyridin-3-yl-6-(pyridin-4-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 166914979
1-[(3R)-3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 92610994
N-[5-[[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]amino]-3-pyridinyl]acetamide
CID 170049174
[4-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110240052
[3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110240239
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 92575229
[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone
CID 110240107
1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one
CID 110240231
[(3R)-3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 92568854
1-[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 92553004
1-[(3S)-3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 92552975

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone (CID 167370499) is 1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone is CC(=O)N1CC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)CCC1c1ccccc1.
What is the InChIKey of 1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone?
The InChIKey is YTZNVTADRMLQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O/c1-19(35)34-18-22(12-13-26(34)20-7-3-2-4-8-20)28-32-25(21-9-6-14-30-17-21)16-27(33-28)31-24-11-5-10-23(29)15-24/h2-11,14-17,22,26H,12-13,18H2,1H3,(H,31,32,33).
What are the key properties of 1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone?
1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone has a molecular weight of 467.55 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone is sourced from PubChem (CID 167370499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).