3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine

C18H18BrN3O2 — CID 139007267

IUPAC3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine
SMILESCOCc1ccc(C2CCCN2c2ccnc3cc(Br)cnc23)o1
InChIInChI=1S/C18H18BrN3O2/c1-23-11-13-4-5-17(24-13)15-3-2-8-22(15)16-6-7-20-14-9-12(19)10-21-18(14)16/h4-7,9-10,15H,2-3,8,11H2,1H3
InChIKeyMKRWVGZBYSCIKJ-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.47
Rot. Bonds4

About 3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine

3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine (PubChem CID 139007267) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine
PubChem CID139007267
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine
SMILESCOCc1ccc(C2CCCN2c2ccnc3cc(Br)cnc23)o1
InChIInChI=1S/C18H18BrN3O2/c1-23-11-13-4-5-17(24-13)15-3-2-8-22(15)16-6-7-20-14-9-12(19)10-21-18(14)16/h4-7,9-10,15H,2-3,8,11H2,1H3
InChIKeyMKRWVGZBYSCIKJ-UHFFFAOYSA-N
XLogP4.47
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine?
The IUPAC name of 3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine (CID 139007267) is 3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine.
What is the SMILES notation for 3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine?
The canonical SMILES for 3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine is COCc1ccc(C2CCCN2c2ccnc3cc(Br)cnc23)o1.
What is the InChIKey of 3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine?
The InChIKey is MKRWVGZBYSCIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-23-11-13-4-5-17(24-13)15-3-2-8-22(15)16-6-7-20-14-9-12(19)10-21-18(14)16/h4-7,9-10,15H,2-3,8,11H2,1H3.
What are the key properties of 3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine?
3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine has a molecular weight of 388.27 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine is sourced from PubChem (CID 139007267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).