1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one

C23H24FN5O — CID 110240146

IUPAC1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1
InChIInChI=1S/C23H24FN5O/c1-2-22(30)29-13-4-3-8-20(29)23-27-19(16-9-11-25-12-10-16)15-21(28-23)26-18-7-5-6-17(24)14-18/h5-7,9-12,14-15,20H,2-4,8,13H2,1H3,(H,26,27,28)
InChIKeyUTUOQKBGPDNJKK-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.88
Rot. Bonds5

About 1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one

1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 110240146) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID110240146
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1
InChIInChI=1S/C23H24FN5O/c1-2-22(30)29-13-4-3-8-20(29)23-27-19(16-9-11-25-12-10-16)15-21(28-23)26-18-7-5-6-17(24)14-18/h5-7,9-12,14-15,20H,2-4,8,13H2,1H3,(H,26,27,28)
InChIKeyUTUOQKBGPDNJKK-UHFFFAOYSA-N
XLogP4.88
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92585248
1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110240182
cyclopropyl-[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92568798
cyclopentyl-[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92568808
1-[(2R)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 92551731
1-[(2S)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 92586514
1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 110240135
[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 110240224
[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92568816
N-(3-fluorophenyl)-6-pyridin-4-yl-2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
CID 110243877
2-cyclopentyl-1-[(3R)-3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92568850
N-(3-fluorophenyl)-6-pyridin-4-yl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
CID 95851085

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one (CID 110240146) is 1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCCC1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1.
What is the InChIKey of 1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is UTUOQKBGPDNJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-2-22(30)29-13-4-3-8-20(29)23-27-19(16-9-11-25-12-10-16)15-21(28-23)26-18-7-5-6-17(24)14-18/h5-7,9-12,14-15,20H,2-4,8,13H2,1H3,(H,26,27,28).
What are the key properties of 1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one?
1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 405.48 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110240146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).