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

C39H26Br2F4N8O — CID 158217588

IUPAC7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
SMILESFc1ccc(-c2[nH]ncc2-c2ccc3ncc(Br)cc3n2)cc1F.Fc1ccc(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(Br)cc3n2)cc1F
InChIInChI=1S/C22H17BrF2N4O.C17H9BrF2N4/c23-14-10-20-19(26-11-14)7-6-18(27-20)15-12-29(21-3-1-2-8-30-21)28-22(15)13-4-5-16(24)17(25)9-13;18-10-6-16-15(21-7-10)4-3-14(23-16)11-8-22-24-17(11)9-1-2-12(19)13(20)5-9/h4-7,9-12,21H,1-3,8H2;1-8H,(H,22,24)
InChIKeyGCVSOLSMAQRACD-UHFFFAOYSA-N
MW858.49 g/mol
LogP10.63
Rot. Bonds5

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

7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 158217588) has the molecular formula C39H26Br2F4N8O and a molecular weight of 858.49 g/mol. Its IUPAC name is 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
PubChem CID158217588
Molecular FormulaC39H26Br2F4N8O
Molecular Weight858.49 g/mol
Exact Mass856.05
IUPAC Name7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
SMILESFc1ccc(-c2[nH]ncc2-c2ccc3ncc(Br)cc3n2)cc1F.Fc1ccc(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(Br)cc3n2)cc1F
InChIInChI=1S/C22H17BrF2N4O.C17H9BrF2N4/c23-14-10-20-19(26-11-14)7-6-18(27-20)15-12-29(21-3-1-2-8-30-21)28-22(15)13-4-5-16(24)17(25)9-13;18-10-6-16-15(21-7-10)4-3-14(23-16)11-8-22-24-17(11)9-1-2-12(19)13(20)5-9/h4-7,9-12,21H,1-3,8H2;1-8H,(H,22,24)
InChIKeyGCVSOLSMAQRACD-UHFFFAOYSA-N
XLogP10.63
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.49
LogP ≤ 510.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine with MolForge

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Related Compounds

7-Bromo-2-[3-(5-chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine
CID 146661719
7-Bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine
CID 146662053
7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
CID 146662093
2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine
CID 146662138
7-Bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine
CID 146662182
7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
CID 153506246
7-bromo-2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
CID 156389482
7-Bromo-2-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine
CID 156389729
2-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine
CID 156389747
7-bromo-2-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]-1,5-naphthyridine
CID 156389768
7-Bromo-2-[1-(oxan-2-yl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-1,5-naphthyridine
CID 156390059
7-Bromo-2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine
CID 156404276

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine (CID 158217588) is 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine is Fc1ccc(-c2[nH]ncc2-c2ccc3ncc(Br)cc3n2)cc1F.Fc1ccc(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(Br)cc3n2)cc1F.
What is the InChIKey of 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is GCVSOLSMAQRACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrF2N4O.C17H9BrF2N4/c23-14-10-20-19(26-11-14)7-6-18(27-20)15-12-29(21-3-1-2-8-30-21)28-22(15)13-4-5-16(24)17(25)9-13;18-10-6-16-15(21-7-10)4-3-14(23-16)11-8-22-24-17(11)9-1-2-12(19)13(20)5-9/h4-7,9-12,21H,1-3,8H2;1-8H,(H,22,24).
What are the key properties of 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)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 858.49 g/mol, XLogP of 10.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 158217588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).