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

C25H21N5O2 — CID 142423016

IUPAC5-methyl-3-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESCc1cncc2ncn(Cc3nc(C4CC(c5ccc6ccccc6c5)C4)no3)c(=O)c12
InChIInChI=1S/C25H21N5O2/c1-15-11-26-12-21-23(15)25(31)30(14-27-21)13-22-28-24(29-32-22)20-9-19(10-20)18-7-6-16-4-2-3-5-17(16)8-18/h2-8,11-12,14,19-20H,9-10,13H2,1H3
InChIKeyYJZRVQKJIFHXBP-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.35
Rot. Bonds4

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

5-methyl-3-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 142423016) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 5-methyl-3-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID142423016
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name5-methyl-3-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESCc1cncc2ncn(Cc3nc(C4CC(c5ccc6ccccc6c5)C4)no3)c(=O)c12
InChIInChI=1S/C25H21N5O2/c1-15-11-26-12-21-23(15)25(31)30(14-27-21)13-22-28-24(29-32-22)20-9-19(10-20)18-7-6-16-4-2-3-5-17(16)8-18/h2-8,11-12,14,19-20H,9-10,13H2,1H3
InChIKeyYJZRVQKJIFHXBP-UHFFFAOYSA-N
XLogP4.35
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one (CID 142423016) is 5-methyl-3-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one is Cc1cncc2ncn(Cc3nc(C4CC(c5ccc6ccccc6c5)C4)no3)c(=O)c12.
What is the InChIKey of 5-methyl-3-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is YJZRVQKJIFHXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-15-11-26-12-21-23(15)25(31)30(14-27-21)13-22-28-24(29-32-22)20-9-19(10-20)18-7-6-16-4-2-3-5-17(16)8-18/h2-8,11-12,14,19-20H,9-10,13H2,1H3.
What are the key properties of 5-methyl-3-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
5-methyl-3-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 423.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 142423016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).