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

C17H15N5O3 — CID 58182556

IUPAC4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CCc2c(ncnc2C(=O)CCc2cc(C3=NC=CC3)no2)N1
InChIInChI=1S/C17H15N5O3/c23-14(16-11-4-6-15(24)21-17(11)20-9-19-16)5-3-10-8-13(22-25-10)12-2-1-7-18-12/h1,7-9H,2-6H2,(H,19,20,21,24)
InChIKeyOBIFMVPJQLDOQK-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.87
Rot. Bonds5

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

4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58182556) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID58182556
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CCc2c(ncnc2C(=O)CCc2cc(C3=NC=CC3)no2)N1
InChIInChI=1S/C17H15N5O3/c23-14(16-11-4-6-15(24)21-17(11)20-9-19-16)5-3-10-8-13(22-25-10)12-2-1-7-18-12/h1,7-9H,2-6H2,(H,19,20,21,24)
InChIKeyOBIFMVPJQLDOQK-UHFFFAOYSA-N
XLogP1.87
TPSA110.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 58182556) is 4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is O=C1CCc2c(ncnc2C(=O)CCc2cc(C3=NC=CC3)no2)N1.
What is the InChIKey of 4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OBIFMVPJQLDOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c23-14(16-11-4-6-15(24)21-17(11)20-9-19-16)5-3-10-8-13(22-25-10)12-2-1-7-18-12/h1,7-9H,2-6H2,(H,19,20,21,24).
What are the key properties of 4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 337.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58182556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).