(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate

C15H15BrN4O4 — CID 156822237

IUPAC(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate
SMILESO=C1CCC(CNC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)N1
InChIInChI=1S/C15H15BrN4O4/c16-9-1-3-12-18-11(5-14(22)20(12)7-9)8-24-15(23)17-6-10-2-4-13(21)19-10/h1,3,5,7,10H,2,4,6,8H2,(H,17,23)(H,19,21)
InChIKeyWVFYNCOCNFNWIF-UHFFFAOYSA-N
MW395.21 g/mol
LogP0.96
Rot. Bonds4

About (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate

(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate (PubChem CID 156822237) has the molecular formula C15H15BrN4O4 and a molecular weight of 395.21 g/mol. Its IUPAC name is (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Name(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate
PubChem CID156822237
Molecular FormulaC15H15BrN4O4
Molecular Weight395.21 g/mol
Exact Mass394.03
IUPAC Name(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate
SMILESO=C1CCC(CNC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)N1
InChIInChI=1S/C15H15BrN4O4/c16-9-1-3-12-18-11(5-14(22)20(12)7-9)8-24-15(23)17-6-10-2-4-13(21)19-10/h1,3,5,7,10H,2,4,6,8H2,(H,17,23)(H,19,21)
InChIKeyWVFYNCOCNFNWIF-UHFFFAOYSA-N
XLogP0.96
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate?
The IUPAC name of (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate (CID 156822237) is (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate.
What is the SMILES notation for (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate?
The canonical SMILES for (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate is O=C1CCC(CNC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)N1.
What is the InChIKey of (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate?
The InChIKey is WVFYNCOCNFNWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O4/c16-9-1-3-12-18-11(5-14(22)20(12)7-9)8-24-15(23)17-6-10-2-4-13(21)19-10/h1,3,5,7,10H,2,4,6,8H2,(H,17,23)(H,19,21).
What are the key properties of (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate?
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate has a molecular weight of 395.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate is sourced from PubChem (CID 156822237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).