7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine

C17H9BrF2N4 — CID 146662093

IUPAC7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
SMILESFc1ccc(-c2[nH]ncc2-c2ccc3ncc(Br)cc3n2)cc1F
InChIInChI=1S/C17H9BrF2N4/c18-10-6-16-15(21-7-10)4-3-14(23-16)11-8-22-24-17(11)9-1-2-12(19)13(20)5-9/h1-8H,(H,22,24)
InChIKeyQNEIUANSOYXYNQ-UHFFFAOYSA-N
MW387.19 g/mol
LogP4.73
Rot. Bonds2

About 7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine

7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 146662093) has the molecular formula C17H9BrF2N4 and a molecular weight of 387.19 g/mol. Its IUPAC name is 7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
PubChem CID146662093
Molecular FormulaC17H9BrF2N4
Molecular Weight387.19 g/mol
Exact Mass386.00
IUPAC Name7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
SMILESFc1ccc(-c2[nH]ncc2-c2ccc3ncc(Br)cc3n2)cc1F
InChIInChI=1S/C17H9BrF2N4/c18-10-6-16-15(21-7-10)4-3-14(23-16)11-8-22-24-17(11)9-1-2-12(19)13(20)5-9/h1-8H,(H,22,24)
InChIKeyQNEIUANSOYXYNQ-UHFFFAOYSA-N
XLogP4.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.19
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine (CID 146662093) is 7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine is Fc1ccc(-c2[nH]ncc2-c2ccc3ncc(Br)cc3n2)cc1F.
What is the InChIKey of 7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is QNEIUANSOYXYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrF2N4/c18-10-6-16-15(21-7-10)4-3-14(23-16)11-8-22-24-17(11)9-1-2-12(19)13(20)5-9/h1-8H,(H,22,24).
What are the key properties of 7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 387.19 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 146662093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).