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

C17H18N4O4 — CID 58182657

IUPAC4-[(3S)-3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCC(=O)c1cc([C@@H](C)CC(=O)c2ncnc3c2CCC(=O)N3)on1
InChIInChI=1S/C17H18N4O4/c1-3-12(22)11-7-14(25-21-11)9(2)6-13(23)16-10-4-5-15(24)20-17(10)19-8-18-16/h7-9H,3-6H2,1-2H3,(H,18,19,20,24)/t9-/m0/s1
InChIKeyHJWIOHLPCIPKMJ-VIFPVBQESA-N
MW342.36 g/mol
LogP2.32
Rot. Bonds6

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

4-[(3S)-3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58182657) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-[(3S)-3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(3S)-3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID58182657
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name4-[(3S)-3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCC(=O)c1cc([C@@H](C)CC(=O)c2ncnc3c2CCC(=O)N3)on1
InChIInChI=1S/C17H18N4O4/c1-3-12(22)11-7-14(25-21-11)9(2)6-13(23)16-10-4-5-15(24)20-17(10)19-8-18-16/h7-9H,3-6H2,1-2H3,(H,18,19,20,24)/t9-/m0/s1
InChIKeyHJWIOHLPCIPKMJ-VIFPVBQESA-N
XLogP2.32
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[(3S)-3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 58182657) is 4-[(3S)-3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(3S)-3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[(3S)-3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CCC(=O)c1cc([C@@H](C)CC(=O)c2ncnc3c2CCC(=O)N3)on1.
What is the InChIKey of 4-[(3S)-3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HJWIOHLPCIPKMJ-VIFPVBQESA-N. The full InChI is InChI=1S/C17H18N4O4/c1-3-12(22)11-7-14(25-21-11)9(2)6-13(23)16-10-4-5-15(24)20-17(10)19-8-18-16/h7-9H,3-6H2,1-2H3,(H,18,19,20,24)/t9-/m0/s1.
What are the key properties of 4-[(3S)-3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[(3S)-3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 342.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58182657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).