3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one

C22H19F2N5O3 — CID 142421618

IUPAC3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccnc2ncn(Cc3nc(C4CC(c5ccc(OC(F)F)cc5)C4)no3)c(=O)c12
InChIInChI=1S/C22H19F2N5O3/c1-12-6-7-25-20-18(12)21(30)29(11-26-20)10-17-27-19(28-32-17)15-8-14(9-15)13-2-4-16(5-3-13)31-22(23)24/h2-7,11,14-15,22H,8-10H2,1H3
InChIKeyLFMJKUKQVYUFOI-UHFFFAOYSA-N
MW439.42 g/mol
LogP3.79
Rot. Bonds6

About 3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one

3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 142421618) has the molecular formula C22H19F2N5O3 and a molecular weight of 439.42 g/mol. Its IUPAC name is 3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one
PubChem CID142421618
Molecular FormulaC22H19F2N5O3
Molecular Weight439.42 g/mol
Exact Mass439.15
IUPAC Name3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccnc2ncn(Cc3nc(C4CC(c5ccc(OC(F)F)cc5)C4)no3)c(=O)c12
InChIInChI=1S/C22H19F2N5O3/c1-12-6-7-25-20-18(12)21(30)29(11-26-20)10-17-27-19(28-32-17)15-8-14(9-15)13-2-4-16(5-3-13)31-22(23)24/h2-7,11,14-15,22H,8-10H2,1H3
InChIKeyLFMJKUKQVYUFOI-UHFFFAOYSA-N
XLogP3.79
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one (CID 142421618) is 3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one is Cc1ccnc2ncn(Cc3nc(C4CC(c5ccc(OC(F)F)cc5)C4)no3)c(=O)c12.
What is the InChIKey of 3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one?
The InChIKey is LFMJKUKQVYUFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O3/c1-12-6-7-25-20-18(12)21(30)29(11-26-20)10-17-27-19(28-32-17)15-8-14(9-15)13-2-4-16(5-3-13)31-22(23)24/h2-7,11,14-15,22H,8-10H2,1H3.
What are the key properties of 3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one?
3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 439.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 142421618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).