5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine

C20H23FN4 — CID 124958622

IUPAC5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine
SMILESCc1cc2cnc(C)n2c([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1
InChIInChI=1S/C20H23FN4/c1-14-10-19-11-22-15(2)25(19)20(23-14)17-4-3-9-24(13-17)12-16-5-7-18(21)8-6-16/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3/t17-/m0/s1
InChIKeyGHQATKYLVNLTRP-KRWDZBQOSA-N
MW338.43 g/mol
LogP3.86
Rot. Bonds3

About 5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine

5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine (PubChem CID 124958622) has the molecular formula C20H23FN4 and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine.

Molecular Properties

Compound Name5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine
PubChem CID124958622
Molecular FormulaC20H23FN4
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC Name5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine
SMILESCc1cc2cnc(C)n2c([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1
InChIInChI=1S/C20H23FN4/c1-14-10-19-11-22-15(2)25(19)20(23-14)17-4-3-9-24(13-17)12-16-5-7-18(21)8-6-16/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3/t17-/m0/s1
InChIKeyGHQATKYLVNLTRP-KRWDZBQOSA-N
XLogP3.86
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine
CID 124968077
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 71942908
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
CID 75512434
N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56889920
N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95862662
5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95806391
1-(4,6-dimethylpyrimidin-2-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 78845397
6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 86342240
2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95818618
(3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine
CID 125025540

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine?
The IUPAC name of 5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine (CID 124958622) is 5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine.
What is the SMILES notation for 5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine?
The canonical SMILES for 5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine is Cc1cc2cnc(C)n2c([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1.
What is the InChIKey of 5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine?
The InChIKey is GHQATKYLVNLTRP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23FN4/c1-14-10-19-11-22-15(2)25(19)20(23-14)17-4-3-9-24(13-17)12-16-5-7-18(21)8-6-16/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine?
5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine has a molecular weight of 338.43 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3,7-dimethylimidazo[1,5-c]pyrimidine is sourced from PubChem (CID 124958622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).