[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C22H20F2N4O — CID 109193490

IUPAC[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Nc2ccc(F)cc2)cn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H20F2N4O/c23-16-1-5-18(6-2-16)26-19-7-10-21(25-15-19)22(29)28-13-11-27(12-14-28)20-8-3-17(24)4-9-20/h1-10,15,26H,11-14H2
InChIKeyVYIGRMLTMLXQMJ-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.07
Rot. Bonds4

About [5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109193490) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is [5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109193490
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Nc2ccc(F)cc2)cn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H20F2N4O/c23-16-1-5-18(6-2-16)26-19-7-10-21(25-15-19)22(29)28-13-11-27(12-14-28)20-8-3-17(24)4-9-20/h1-10,15,26H,11-14H2
InChIKeyVYIGRMLTMLXQMJ-UHFFFAOYSA-N
XLogP4.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193428
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
[5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109194252
[5-(3-fluoroanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194543
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone
CID 109193488
[5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285584
[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184706

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 109193490) is [5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(Nc2ccc(F)cc2)cn1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is VYIGRMLTMLXQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-16-1-5-18(6-2-16)26-19-7-10-21(25-15-19)22(29)28-13-11-27(12-14-28)20-8-3-17(24)4-9-20/h1-10,15,26H,11-14H2.
What are the key properties of [5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 394.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109193490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).