[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C20H18F2N6O — CID 109238713

IUPAC[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cncc(Nc2ccc(F)c(F)c2)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H18F2N6O/c21-17-3-2-15(11-18(17)22)26-16-10-14(12-23-13-16)19(29)27-6-8-28(9-7-27)20-24-4-1-5-25-20/h1-5,10-13,26H,6-9H2
InChIKeyCZFQNIHMWNROGJ-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.86
Rot. Bonds4

About [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109238713) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109238713
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cncc(Nc2ccc(F)c(F)c2)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H18F2N6O/c21-17-3-2-15(11-18(17)22)26-16-10-14(12-23-13-16)19(29)27-6-8-28(9-7-27)20-24-4-1-5-25-20/h1-5,10-13,26H,6-9H2
InChIKeyCZFQNIHMWNROGJ-UHFFFAOYSA-N
XLogP2.86
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[5-(4-chloroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238703
[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225687
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230234
3-[[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109238710
[5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238615
[2-(3,4-difluoroanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310691
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238714
[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109225372
[5-(1-phenylethylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109232912
[5-(2,4-difluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238623
(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109237604
1-[4-[5-(4-chloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231098

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109238713) is [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cncc(Nc2ccc(F)c(F)c2)c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is CZFQNIHMWNROGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c21-17-3-2-15(11-18(17)22)26-16-10-14(12-23-13-16)19(29)27-6-8-28(9-7-27)20-24-4-1-5-25-20/h1-5,10-13,26H,6-9H2.
What are the key properties of [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 396.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109238713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).