3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one

C20H15N5O2 — CID 149114026

IUPAC3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1Cc1nc(C2C3Cc4ccccc4C32)no1
InChIInChI=1S/C20H15N5O2/c26-20-13-5-6-21-8-15(13)22-10-25(20)9-16-23-19(24-27-16)18-14-7-11-3-1-2-4-12(11)17(14)18/h1-6,8,10,14,17-18H,7,9H2
InChIKeyQXXRHEBDHBRXQO-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.28
Rot. Bonds3

About 3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one

3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 149114026) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID149114026
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1Cc1nc(C2C3Cc4ccccc4C32)no1
InChIInChI=1S/C20H15N5O2/c26-20-13-5-6-21-8-15(13)22-10-25(20)9-16-23-19(24-27-16)18-14-7-11-3-1-2-4-12(11)17(14)18/h1-6,8,10,14,17-18H,7,9H2
InChIKeyQXXRHEBDHBRXQO-UHFFFAOYSA-N
XLogP2.28
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one (CID 149114026) is 3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one is O=c1c2ccncc2ncn1Cc1nc(C2C3Cc4ccccc4C32)no1.
What is the InChIKey of 3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is QXXRHEBDHBRXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c26-20-13-5-6-21-8-15(13)22-10-25(20)9-16-23-19(24-27-16)18-14-7-11-3-1-2-4-12(11)17(14)18/h1-6,8,10,14,17-18H,7,9H2.
What are the key properties of 3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 357.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 149114026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).