4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C20H17N5O2 — CID 58182636

IUPAC4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CCc2c(CCc3cc(C4=Nc5ccccc5C4)no3)ncnc2N1
InChIInChI=1S/C20H17N5O2/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/h1-4,10-11H,5-9H2,(H,21,22,24,26)
InChIKeyVPFHSLSCRGZCJO-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.81
Rot. Bonds4

About 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58182636) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID58182636
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CCc2c(CCc3cc(C4=Nc5ccccc5C4)no3)ncnc2N1
InChIInChI=1S/C20H17N5O2/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/h1-4,10-11H,5-9H2,(H,21,22,24,26)
InChIKeyVPFHSLSCRGZCJO-UHFFFAOYSA-N
XLogP2.81
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 58182636) is 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-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]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is O=C1CCc2c(CCc3cc(C4=Nc5ccccc5C4)no3)ncnc2N1.
What is the InChIKey of 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VPFHSLSCRGZCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/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/h1-4,10-11H,5-9H2,(H,21,22,24,26).
What are the key properties of 4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 359.39 g/mol, XLogP of 2.81, 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]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58182636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).