[3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone

C23H23FN4O — CID 46331145

IUPAC[3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)CC1
InChIInChI=1S/C23H23FN4O/c1-16-10-13-28(14-11-16)23(29)18-3-2-4-20(15-18)26-21-9-12-25-22(27-21)17-5-7-19(24)8-6-17/h2-9,12,15-16H,10-11,13-14H2,1H3,(H,25,26,27)
InChIKeyWJISSVLIOCYSLT-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.90
Rot. Bonds4

About [3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone

[3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 46331145) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is [3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID46331145
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name[3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)CC1
InChIInChI=1S/C23H23FN4O/c1-16-10-13-28(14-11-16)23(29)18-3-2-4-20(15-18)26-21-9-12-25-22(27-21)17-5-7-19(24)8-6-17/h2-9,12,15-16H,10-11,13-14H2,1H3,(H,25,26,27)
InChIKeyWJISSVLIOCYSLT-UHFFFAOYSA-N
XLogP4.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 20934164
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide
CID 46331137
N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331192
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46331171
2-(4-fluoroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813298
[4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117085240
N-(4-fluorophenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081738
(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 112853073
(3-fluorophenyl)-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137680
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109183366
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 46331193

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 46331145) is [3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)CC1.
What is the InChIKey of [3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WJISSVLIOCYSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-16-10-13-28(14-11-16)23(29)18-3-2-4-20(15-18)26-21-9-12-25-22(27-21)17-5-7-19(24)8-6-17/h2-9,12,15-16H,10-11,13-14H2,1H3,(H,25,26,27).
What are the key properties of [3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone?
[3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 390.46 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 46331145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).