(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C26H29N3O5 — CID 71902279

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCCCN1C(=O)CC(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)C1c1ccc(OC)cc1
InChIInChI=1S/C26H29N3O5/c1-4-5-12-28-24(31)14-21(25(28)18-7-9-20(33-3)10-8-18)26(32)34-16-19-13-23(30)29-15-17(2)6-11-22(29)27-19/h6-11,13,15,21,25H,4-5,12,14,16H2,1-3H3
InChIKeyFGKXIUAWXVTXFC-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.44
Rot. Bonds8

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 71902279) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID71902279
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCCCN1C(=O)CC(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)C1c1ccc(OC)cc1
InChIInChI=1S/C26H29N3O5/c1-4-5-12-28-24(31)14-21(25(28)18-7-9-20(33-3)10-8-18)26(32)34-16-19-13-23(30)29-15-17(2)6-11-22(29)27-19/h6-11,13,15,21,25H,4-5,12,14,16H2,1-3H3
InChIKeyFGKXIUAWXVTXFC-UHFFFAOYSA-N
XLogP3.44
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 71902279) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is CCCCN1C(=O)CC(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)C1c1ccc(OC)cc1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is FGKXIUAWXVTXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-4-5-12-28-24(31)14-21(25(28)18-7-9-20(33-3)10-8-18)26(32)34-16-19-13-23(30)29-15-17(2)6-11-22(29)27-19/h6-11,13,15,21,25H,4-5,12,14,16H2,1-3H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 463.53 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 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 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 71902279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).