3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine

C17H11BrFN5 — CID 162761020

IUPAC3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2ccnc3cc(Br)cnc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C17H11BrFN5/c1-24-9-13(17(23-24)14-3-2-11(19)8-21-14)12-4-5-20-15-6-10(18)7-22-16(12)15/h2-9H,1H3
InChIKeyBBENBGOXGCRUPR-UHFFFAOYSA-N
MW384.21 g/mol
LogP3.99
Rot. Bonds2

About 3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine

3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine (PubChem CID 162761020) has the molecular formula C17H11BrFN5 and a molecular weight of 384.21 g/mol. Its IUPAC name is 3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
PubChem CID162761020
Molecular FormulaC17H11BrFN5
Molecular Weight384.21 g/mol
Exact Mass383.02
IUPAC Name3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2ccnc3cc(Br)cnc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C17H11BrFN5/c1-24-9-13(17(23-24)14-3-2-11(19)8-21-14)12-4-5-20-15-6-10(18)7-22-16(12)15/h2-9H,1H3
InChIKeyBBENBGOXGCRUPR-UHFFFAOYSA-N
XLogP3.99
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine (CID 162761020) is 3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine is Cn1cc(-c2ccnc3cc(Br)cnc23)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is BBENBGOXGCRUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN5/c1-24-9-13(17(23-24)14-3-2-11(19)8-21-14)12-4-5-20-15-6-10(18)7-22-16(12)15/h2-9H,1H3.
What are the key properties of 3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 384.21 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 162761020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).