(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

C21H24N4O5 — CID 7548897

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILESCc1ccc2nc(COC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)cc(=O)n2c1
InChIInChI=1S/C21H24N4O5/c1-13-6-7-16-22-15(9-17(26)24(16)10-13)12-30-18(27)11-25-19(28)21(23-20(25)29)8-4-3-5-14(21)2/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,23,29)/t14-,21+/m1/s1
InChIKeyHWYUEAFYSIWVIW-SZNDQCEHSA-N
MW412.45 g/mol
LogP1.55
Rot. Bonds4

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 7548897) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
PubChem CID7548897
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILESCc1ccc2nc(COC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)cc(=O)n2c1
InChIInChI=1S/C21H24N4O5/c1-13-6-7-16-22-15(9-17(26)24(16)10-13)12-30-18(27)11-25-19(28)21(23-20(25)29)8-4-3-5-14(21)2/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,23,29)/t14-,21+/m1/s1
InChIKeyHWYUEAFYSIWVIW-SZNDQCEHSA-N
XLogP1.55
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (CID 7548897) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is Cc1ccc2nc(COC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The InChIKey is HWYUEAFYSIWVIW-SZNDQCEHSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-13-6-7-16-22-15(9-17(26)24(16)10-13)12-30-18(27)11-25-19(28)21(23-20(25)29)8-4-3-5-14(21)2/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,23,29)/t14-,21+/m1/s1.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 412.45 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 7548897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).