[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C22H20F2N4O — CID 78814549

IUPAC[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccnc1Nc1ccccc1F)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H20F2N4O/c23-17-7-1-3-9-19(17)26-21-16(6-5-11-25-21)22(29)28-14-12-27(13-15-28)20-10-4-2-8-18(20)24/h1-11H,12-15H2,(H,25,26)
InChIKeyHCWPIZXBDDLWMA-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.07
Rot. Bonds4

About [2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 78814549) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID78814549
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccnc1Nc1ccccc1F)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H20F2N4O/c23-17-7-1-3-9-19(17)26-21-16(6-5-11-25-21)22(29)28-14-12-27(13-15-28)20-10-4-2-8-18(20)24/h1-11H,12-15H2,(H,25,26)
InChIKeyHCWPIZXBDDLWMA-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

[4-(2-chlorophenyl)piperazin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 134008458
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 134008379
[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 84574137
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 119516715
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119409230
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542627
1-[2-(2-fluoroanilino)pyridine-3-carbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112803662
[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487525
[1-[2-(2-fluoroanilino)pyridine-3-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 78836688
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]-1,4-oxazepane-6-carboxylic acid
CID 167791863
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide
CID 49418096
[4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone
CID 70315409

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 78814549) is [2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cccnc1Nc1ccccc1F)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is HCWPIZXBDDLWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-17-7-1-3-9-19(17)26-21-16(6-5-11-25-21)22(29)28-14-12-27(13-15-28)20-10-4-2-8-18(20)24/h1-11H,12-15H2,(H,25,26).
What are the key properties of [2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-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 [2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78814549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).