(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

C20H15BrN2O5 — CID 2081171

IUPAC(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCc3cc(=O)n4cc(Br)ccc4n3)c(C)c2c1
InChIInChI=1S/C20H15BrN2O5/c1-11-15-8-14(26-2)4-5-16(15)28-19(11)20(25)27-10-13-7-18(24)23-9-12(21)3-6-17(23)22-13/h3-9H,10H2,1-2H3
InChIKeyGUZJFLFGWROMJI-UHFFFAOYSA-N
MW443.25 g/mol
LogP3.88
Rot. Bonds4

About (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2081171) has the molecular formula C20H15BrN2O5 and a molecular weight of 443.25 g/mol. Its IUPAC name is (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID2081171
Molecular FormulaC20H15BrN2O5
Molecular Weight443.25 g/mol
Exact Mass442.02
IUPAC Name(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCc3cc(=O)n4cc(Br)ccc4n3)c(C)c2c1
InChIInChI=1S/C20H15BrN2O5/c1-11-15-8-14(26-2)4-5-16(15)28-19(11)20(25)27-10-13-7-18(24)23-9-12(21)3-6-17(23)22-13/h3-9H,10H2,1-2H3
InChIKeyGUZJFLFGWROMJI-UHFFFAOYSA-N
XLogP3.88
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.25
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270300
(7-Bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-1-benzofuran-2-carboxylate
CID 2127829
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8608542
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8608567
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-fluorophenyl)furan-2-carboxylate
CID 8675402
(9-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-fluorophenyl)furan-2-carboxylate
CID 24456000
(7-Chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 45849579
(8-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-fluorophenyl)furan-2-carboxylate
CID 45849630
(8-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(2-fluorophenyl)furan-2-carboxylate
CID 45849664
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 46601734
(9-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 46805166
(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 46811771

Frequently Asked Questions

What is the IUPAC name of (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CID 2081171) is (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is COc1ccc2oc(C(=O)OCc3cc(=O)n4cc(Br)ccc4n3)c(C)c2c1.
What is the InChIKey of (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is GUZJFLFGWROMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O5/c1-11-15-8-14(26-2)4-5-16(15)28-19(11)20(25)27-10-13-7-18(24)23-9-12(21)3-6-17(23)22-13/h3-9H,10H2,1-2H3.
What are the key properties of (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 443.25 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2081171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).