(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate

C23H26N2O3 — CID 166333306

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate
SMILESCc1ccc2nc(COC(=O)C(C)c3cccc(CC(C)C)c3)cc(=O)n2c1
InChIInChI=1S/C23H26N2O3/c1-15(2)10-18-6-5-7-19(11-18)17(4)23(27)28-14-20-12-22(26)25-13-16(3)8-9-21(25)24-20/h5-9,11-13,15,17H,10,14H2,1-4H3
InChIKeyTZMKYLKDPAKYIB-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.05
Rot. Bonds6

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate (PubChem CID 166333306) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate
PubChem CID166333306
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate
SMILESCc1ccc2nc(COC(=O)C(C)c3cccc(CC(C)C)c3)cc(=O)n2c1
InChIInChI=1S/C23H26N2O3/c1-15(2)10-18-6-5-7-19(11-18)17(4)23(27)28-14-20-12-22(26)25-13-16(3)8-9-21(25)24-20/h5-9,11-13,15,17H,10,14H2,1-4H3
InChIKeyTZMKYLKDPAKYIB-UHFFFAOYSA-N
XLogP4.05
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 166333304
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 166333303
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzylbutanoate
CID 166203540
(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-chlorophenyl)butanoate
CID 166333282
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate
CID 166202772
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methylphenyl)propanoate
CID 166191008
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-2-(2-phenylethyl)butanoate
CID 166185848
(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 (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7542894
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-chlorophenyl)-2-hydroxyacetate
CID 166213407
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoate
CID 166333328

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate (CID 166333306) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate is Cc1ccc2nc(COC(=O)C(C)c3cccc(CC(C)C)c3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate?
The InChIKey is TZMKYLKDPAKYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15(2)10-18-6-5-7-19(11-18)17(4)23(27)28-14-20-12-22(26)25-13-16(3)8-9-21(25)24-20/h5-9,11-13,15,17H,10,14H2,1-4H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate has a molecular weight of 378.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 166333306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).