[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone

C24H26FN5O2 — CID 108743341

IUPAC[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
SMILESCc1cc(C)nc(N2CCC(C(=O)N3CCc4c(noc4-c4ccc(F)cc4)C3)CC2)n1
InChIInChI=1S/C24H26FN5O2/c1-15-13-16(2)27-24(26-15)29-10-7-18(8-11-29)23(31)30-12-9-20-21(14-30)28-32-22(20)17-3-5-19(25)6-4-17/h3-6,13,18H,7-12,14H2,1-2H3
InChIKeyYODHKUQCWBOPND-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.69
Rot. Bonds3

About [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone

[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone (PubChem CID 108743341) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
PubChem CID108743341
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
SMILESCc1cc(C)nc(N2CCC(C(=O)N3CCc4c(noc4-c4ccc(F)cc4)C3)CC2)n1
InChIInChI=1S/C24H26FN5O2/c1-15-13-16(2)27-24(26-15)29-10-7-18(8-11-29)23(31)30-12-9-20-21(14-30)28-32-22(20)17-3-5-19(25)6-4-17/h3-6,13,18H,7-12,14H2,1-2H3
InChIKeyYODHKUQCWBOPND-UHFFFAOYSA-N
XLogP3.69
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone with MolForge

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Related Compounds

4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 108810253
2-chloro-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]ethanone
CID 108743296
1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one
CID 108811599
[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone
CID 108743249
2-(3,5-dimethylphenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]ethanone
CID 108743352
(2-chloro-6-fluorophenyl)-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
CID 108743287
[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 108810480
[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-nitrophenyl)methanone
CID 108765596
5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione
CID 108765620
ethyl [4-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]phenyl] carbonate
CID 108765581
2-chloro-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 108727198
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803

Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone?
The IUPAC name of [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone (CID 108743341) is [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone?
The canonical SMILES for [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone is Cc1cc(C)nc(N2CCC(C(=O)N3CCc4c(noc4-c4ccc(F)cc4)C3)CC2)n1.
What is the InChIKey of [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone?
The InChIKey is YODHKUQCWBOPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-15-13-16(2)27-24(26-15)29-10-7-18(8-11-29)23(31)30-12-9-20-21(14-30)28-32-22(20)17-3-5-19(25)6-4-17/h3-6,13,18H,7-12,14H2,1-2H3.
What are the key properties of [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone?
[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone has a molecular weight of 435.50 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 108743341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).