(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate

C18H15N5O3 — CID 51190465

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate
SMILESCc1ccc2nc(COC(=O)Cn3nnc4ccccc43)cc(=O)n2c1
InChIInChI=1S/C18H15N5O3/c1-12-6-7-16-19-13(8-17(24)22(16)9-12)11-26-18(25)10-23-15-5-3-2-4-14(15)20-21-23/h2-9H,10-11H2,1H3
InChIKeyQTRLFPYEBSFYKY-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.49
Rot. Bonds4

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate (PubChem CID 51190465) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate
PubChem CID51190465
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate
SMILESCc1ccc2nc(COC(=O)Cn3nnc4ccccc43)cc(=O)n2c1
InChIInChI=1S/C18H15N5O3/c1-12-6-7-16-19-13(8-17(24)22(16)9-12)11-26-18(25)10-23-15-5-3-2-4-14(15)20-21-23/h2-9H,10-11H2,1H3
InChIKeyQTRLFPYEBSFYKY-UHFFFAOYSA-N
XLogP1.49
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate
CID 51280600
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenylacetate
CID 7542151
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-3-phenylpropanoate
CID 166333269
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8521107
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3,4-dimethylphenyl)acetate
CID 7548236
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (3R)-3-cyclopropylbutanoate
CID 95234068
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoate
CID 166333328
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
CID 55495844
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate
CID 7537217
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-aminobenzoate
CID 7494667
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate
CID 51210301
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-2-(2-phenylethyl)butanoate
CID 166185848

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate (CID 51190465) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate is Cc1ccc2nc(COC(=O)Cn3nnc4ccccc43)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate?
The InChIKey is QTRLFPYEBSFYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-12-6-7-16-19-13(8-17(24)22(16)9-12)11-26-18(25)10-23-15-5-3-2-4-14(15)20-21-23/h2-9H,10-11H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate has a molecular weight of 349.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 51190465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).