3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one

C25H21N5O3 — CID 142421634

IUPAC3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccnc2ncn(Cc3nc(C4CC(O)(c5ccc6ccccc6c5)C4)no3)c(=O)c12
InChIInChI=1S/C25H21N5O3/c1-15-8-9-26-23-21(15)24(31)30(14-27-23)13-20-28-22(29-33-20)18-11-25(32,12-18)19-7-6-16-4-2-3-5-17(16)10-19/h2-10,14,18,32H,11-13H2,1H3
InChIKeyAUYOYOLCWLCGRE-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.45
Rot. Bonds4

About 3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one

3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 142421634) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one
PubChem CID142421634
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccnc2ncn(Cc3nc(C4CC(O)(c5ccc6ccccc6c5)C4)no3)c(=O)c12
InChIInChI=1S/C25H21N5O3/c1-15-8-9-26-23-21(15)24(31)30(14-27-23)13-20-28-22(29-33-20)18-11-25(32,12-18)19-7-6-16-4-2-3-5-17(16)10-19/h2-10,14,18,32H,11-13H2,1H3
InChIKeyAUYOYOLCWLCGRE-UHFFFAOYSA-N
XLogP3.45
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one (CID 142421634) is 3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one is Cc1ccnc2ncn(Cc3nc(C4CC(O)(c5ccc6ccccc6c5)C4)no3)c(=O)c12.
What is the InChIKey of 3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one?
The InChIKey is AUYOYOLCWLCGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-15-8-9-26-23-21(15)24(31)30(14-27-23)13-20-28-22(29-33-20)18-11-25(32,12-18)19-7-6-16-4-2-3-5-17(16)10-19/h2-10,14,18,32H,11-13H2,1H3.
What are the key properties of 3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one?
3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 439.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 142421634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).