4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one

C20H15N5O2 — CID 58182593

IUPAC4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2c(CCc3cc(C4=Nc5ccccc5C4)no3)ncnc2[nH]1
InChIInChI=1S/C20H15N5O2/c26-19-8-6-14-16(21-11-22-20(14)24-19)7-5-13-10-18(25-27-13)17-9-12-3-1-2-4-15(12)23-17/h1-4,6,8,10-11H,5,7,9H2,(H,21,22,24,26)
InChIKeyXCOMXDFGTNIEDV-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.77
Rot. Bonds4

About 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one

4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58182593) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID58182593
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2c(CCc3cc(C4=Nc5ccccc5C4)no3)ncnc2[nH]1
InChIInChI=1S/C20H15N5O2/c26-19-8-6-14-16(21-11-22-20(14)24-19)7-5-13-10-18(25-27-13)17-9-12-3-1-2-4-15(12)23-17/h1-4,6,8,10-11H,5,7,9H2,(H,21,22,24,26)
InChIKeyXCOMXDFGTNIEDV-UHFFFAOYSA-N
XLogP2.77
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-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 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one (CID 58182593) is 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2c(CCc3cc(C4=Nc5ccccc5C4)no3)ncnc2[nH]1.
What is the InChIKey of 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XCOMXDFGTNIEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c26-19-8-6-14-16(21-11-22-20(14)24-19)7-5-13-10-18(25-27-13)17-9-12-3-1-2-4-15(12)23-17/h1-4,6,8,10-11H,5,7,9H2,(H,21,22,24,26).
What are the key properties of 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one?
4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 357.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58182593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).