4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one

C21H20F2N4O — CID 136682326

IUPAC4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=c1cc([C@@H]2CCCCN2Cc2c(F)cccc2F)nc(-c2ccccn2)[nH]1
InChIInChI=1S/C21H20F2N4O/c22-15-6-5-7-16(23)14(15)13-27-11-4-2-9-19(27)18-12-20(28)26-21(25-18)17-8-1-3-10-24-17/h1,3,5-8,10,12,19H,2,4,9,11,13H2,(H,25,26,28)/t19-/m0/s1
InChIKeyGBFHCASQJBMNJH-IBGZPJMESA-N
MW382.41 g/mol
LogP3.84
Rot. Bonds4

About 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one

4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 136682326) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID136682326
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=c1cc([C@@H]2CCCCN2Cc2c(F)cccc2F)nc(-c2ccccn2)[nH]1
InChIInChI=1S/C21H20F2N4O/c22-15-6-5-7-16(23)14(15)13-27-11-4-2-9-19(27)18-12-20(28)26-21(25-18)17-8-1-3-10-24-17/h1,3,5-8,10,12,19H,2,4,9,11,13H2,(H,25,26,28)/t19-/m0/s1
InChIKeyGBFHCASQJBMNJH-IBGZPJMESA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136673578
4-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858529
4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136682160
4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124953664
4-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858527
4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765779
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
4-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682355
2-pyridin-2-yl-4-[(3S)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673596
2-pyridin-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136765795
4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 135963222

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 136682326) is 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one is O=c1cc([C@@H]2CCCCN2Cc2c(F)cccc2F)nc(-c2ccccn2)[nH]1.
What is the InChIKey of 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is GBFHCASQJBMNJH-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-15-6-5-7-16(23)14(15)13-27-11-4-2-9-19(27)18-12-20(28)26-21(25-18)17-8-1-3-10-24-17/h1,3,5-8,10,12,19H,2,4,9,11,13H2,(H,25,26,28)/t19-/m0/s1.
What are the key properties of 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 382.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136682326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).