2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one

C21H20F2N4O — CID 135912982

IUPAC2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccn2)nc(-c2ccccc2CN2CCC(F)(F)CC2)[nH]1
InChIInChI=1S/C21H20F2N4O/c22-21(23)8-11-27(12-9-21)14-15-5-1-2-6-16(15)20-25-18(13-19(28)26-20)17-7-3-4-10-24-17/h1-7,10,13H,8-9,11-12,14H2,(H,25,26,28)
InChIKeyAGKIXKGHGLNZGM-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.73
Rot. Bonds4

About 2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one

2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 135912982) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID135912982
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccn2)nc(-c2ccccc2CN2CCC(F)(F)CC2)[nH]1
InChIInChI=1S/C21H20F2N4O/c22-21(23)8-11-27(12-9-21)14-15-5-1-2-6-16(15)20-25-18(13-19(28)26-20)17-7-3-4-10-24-17/h1-7,10,13H,8-9,11-12,14H2,(H,25,26,28)
InChIKeyAGKIXKGHGLNZGM-UHFFFAOYSA-N
XLogP3.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135966207
4-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858529
4-pyridin-2-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136821000
2-pyridin-2-yl-4-[(3S)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673596
4-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858527
4-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765796
4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765806
2-(methylamino)-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 170993600
4-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136795513
2-pyridin-2-yl-7-[[2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136681967
4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136673471
4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765779

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one (CID 135912982) is 2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one is O=c1cc(-c2ccccn2)nc(-c2ccccc2CN2CCC(F)(F)CC2)[nH]1.
What is the InChIKey of 2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is AGKIXKGHGLNZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-21(23)8-11-27(12-9-21)14-15-5-1-2-6-16(15)20-25-18(13-19(28)26-20)17-7-3-4-10-24-17/h1-7,10,13H,8-9,11-12,14H2,(H,25,26,28).
What are the key properties of 2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 382.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135912982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).