3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one

C20H17N5O2 — CID 142423039

IUPAC3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccnc2ncn(Cc3nc(C4Cc5ccccc5C4)no3)c(=O)c12
InChIInChI=1S/C20H17N5O2/c1-12-6-7-21-19-17(12)20(26)25(11-22-19)10-16-23-18(24-27-16)15-8-13-4-2-3-5-14(13)9-15/h2-7,11,15H,8-10H2,1H3
InChIKeyZRVTVXBVIYQWKR-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.41
Rot. Bonds3

About 3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one

3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 142423039) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one
PubChem CID142423039
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccnc2ncn(Cc3nc(C4Cc5ccccc5C4)no3)c(=O)c12
InChIInChI=1S/C20H17N5O2/c1-12-6-7-21-19-17(12)20(26)25(11-22-19)10-16-23-18(24-27-16)15-8-13-4-2-3-5-14(13)9-15/h2-7,11,15H,8-10H2,1H3
InChIKeyZRVTVXBVIYQWKR-UHFFFAOYSA-N
XLogP2.41
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[3-(2,3-dihydro-1H-inden-2-yl)-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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one (CID 142423039) is 3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one is Cc1ccnc2ncn(Cc3nc(C4Cc5ccccc5C4)no3)c(=O)c12.
What is the InChIKey of 3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZRVTVXBVIYQWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12-6-7-21-19-17(12)20(26)25(11-22-19)10-16-23-18(24-27-16)15-8-13-4-2-3-5-14(13)9-15/h2-7,11,15H,8-10H2,1H3.
What are the key properties of 3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one?
3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 359.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 142423039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).