3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one

C22H16ClN5O2 — CID 154985130

IUPAC3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2ncccc2ncn1Cc1nc(C2C3C=C(c4cccc(Cl)c4)CC32)no1
InChIInChI=1S/C22H16ClN5O2/c23-14-4-1-3-12(7-14)13-8-15-16(9-13)19(15)21-26-18(30-27-21)10-28-11-25-17-5-2-6-24-20(17)22(28)29/h1-8,11,15-16,19H,9-10H2
InChIKeyACDPGZSGGCCJLS-UHFFFAOYSA-N
MW417.86 g/mol
LogP3.69
Rot. Bonds4

About 3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one

3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 154985130) has the molecular formula C22H16ClN5O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is 3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
PubChem CID154985130
Molecular FormulaC22H16ClN5O2
Molecular Weight417.86 g/mol
Exact Mass417.10
IUPAC Name3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2ncccc2ncn1Cc1nc(C2C3C=C(c4cccc(Cl)c4)CC32)no1
InChIInChI=1S/C22H16ClN5O2/c23-14-4-1-3-12(7-14)13-8-15-16(9-13)19(15)21-26-18(30-27-21)10-28-11-25-17-5-2-6-24-20(17)22(28)29/h1-8,11,15-16,19H,9-10H2
InChIKeyACDPGZSGGCCJLS-UHFFFAOYSA-N
XLogP3.69
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one (CID 154985130) is 3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one is O=c1c2ncccc2ncn1Cc1nc(C2C3C=C(c4cccc(Cl)c4)CC32)no1.
What is the InChIKey of 3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is ACDPGZSGGCCJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2/c23-14-4-1-3-12(7-14)13-8-15-16(9-13)19(15)21-26-18(30-27-21)10-28-11-25-17-5-2-6-24-20(17)22(28)29/h1-8,11,15-16,19H,9-10H2.
What are the key properties of 3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 417.86 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[3-(3-chlorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 154985130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).