2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one

C21H24FN5O — CID 135966265

IUPAC2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CCn2cccn2)nc(-c2ccc(CN3CCC(F)CC3)cc2)[nH]1
InChIInChI=1S/C21H24FN5O/c22-18-6-11-26(12-7-18)15-16-2-4-17(5-3-16)21-24-19(14-20(28)25-21)8-13-27-10-1-9-23-27/h1-5,9-10,14,18H,6-8,11-13,15H2,(H,24,25,28)
InChIKeyGQYBEOIBVDCVKQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.81
Rot. Bonds6

About 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one

2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one (PubChem CID 135966265) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one
PubChem CID135966265
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CCn2cccn2)nc(-c2ccc(CN3CCC(F)CC3)cc2)[nH]1
InChIInChI=1S/C21H24FN5O/c22-18-6-11-26(12-7-18)15-16-2-4-17(5-3-16)21-24-19(14-20(28)25-21)8-13-27-10-1-9-23-27/h1-5,9-10,14,18H,6-8,11-13,15H2,(H,24,25,28)
InChIKeyGQYBEOIBVDCVKQ-UHFFFAOYSA-N
XLogP2.81
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one
CID 135966300
2-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-butyl-1H-pyrimidin-6-one
CID 135966319
4-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136681421
2-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135966306
4-butyl-2-[3-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
CID 135915511
4-(2-chlorophenyl)-2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
CID 135966311
4-butyl-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 154889545
[4-[[4-[2-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-1-yl]methyl]phenyl] acetate
CID 136766157
2-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135966207
2-[4-[(4-acetyl-1,4-diazepan-1-yl)methyl]phenyl]-4-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 135884235
4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one
CID 135887646
2-[3-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]phenyl]-4-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 135891036

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one (CID 135966265) is 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one is O=c1cc(CCn2cccn2)nc(-c2ccc(CN3CCC(F)CC3)cc2)[nH]1.
What is the InChIKey of 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one?
The InChIKey is GQYBEOIBVDCVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c22-18-6-11-26(12-7-18)15-16-2-4-17(5-3-16)21-24-19(14-20(28)25-21)8-13-27-10-1-9-23-27/h1-5,9-10,14,18H,6-8,11-13,15H2,(H,24,25,28).
What are the key properties of 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one?
2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one has a molecular weight of 381.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135966265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).