1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea

C13H11BrF2N4O — CID 58310542

IUPAC1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea
SMILESO=C(Nc1ccnc2cc(Br)cnc12)NC1CC(F)(F)C1
InChIInChI=1S/C13H11BrF2N4O/c14-7-3-10-11(18-6-7)9(1-2-17-10)20-12(21)19-8-4-13(15,16)5-8/h1-3,6,8H,4-5H2,(H2,17,19,20,21)
InChIKeyAMPFVAROUDUSKL-UHFFFAOYSA-N
MW357.16 g/mol
LogP3.31
Rot. Bonds2

About 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea

1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea (PubChem CID 58310542) has the molecular formula C13H11BrF2N4O and a molecular weight of 357.16 g/mol. Its IUPAC name is 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea.

Molecular Properties

Compound Name1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea
PubChem CID58310542
Molecular FormulaC13H11BrF2N4O
Molecular Weight357.16 g/mol
Exact Mass356.01
IUPAC Name1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea
SMILESO=C(Nc1ccnc2cc(Br)cnc12)NC1CC(F)(F)C1
InChIInChI=1S/C13H11BrF2N4O/c14-7-3-10-11(18-6-7)9(1-2-17-10)20-12(21)19-8-4-13(15,16)5-8/h1-3,6,8H,4-5H2,(H2,17,19,20,21)
InChIKeyAMPFVAROUDUSKL-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea?
The IUPAC name of 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea (CID 58310542) is 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea.
What is the SMILES notation for 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea?
The canonical SMILES for 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea is O=C(Nc1ccnc2cc(Br)cnc12)NC1CC(F)(F)C1.
What is the InChIKey of 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea?
The InChIKey is AMPFVAROUDUSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N4O/c14-7-3-10-11(18-6-7)9(1-2-17-10)20-12(21)19-8-4-13(15,16)5-8/h1-3,6,8H,4-5H2,(H2,17,19,20,21).
What are the key properties of 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea?
1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea has a molecular weight of 357.16 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(3,3-difluorocyclobutyl)urea is sourced from PubChem (CID 58310542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).