N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide

C25H14F3N5O2 — CID 89445075

IUPACN-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide
SMILESO=C(Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1)c1cccc(F)c1
InChIInChI=1S/C25H14F3N5O2/c26-16-3-1-2-14(6-16)25(35)32-17-8-18(23(28)19(27)9-17)24(34)13-4-5-20-21(7-13)33-22(12-29-20)15-10-30-31-11-15/h1-12H,(H,30,31)(H,32,35)
InChIKeyWUFFYMXOFKQDOR-UHFFFAOYSA-N
MW473.41 g/mol
LogP4.92
Rot. Bonds5

About N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide

N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide (PubChem CID 89445075) has the molecular formula C25H14F3N5O2 and a molecular weight of 473.41 g/mol. Its IUPAC name is N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide
PubChem CID89445075
Molecular FormulaC25H14F3N5O2
Molecular Weight473.41 g/mol
Exact Mass473.11
IUPAC NameN-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide
SMILESO=C(Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1)c1cccc(F)c1
InChIInChI=1S/C25H14F3N5O2/c26-16-3-1-2-14(6-16)25(35)32-17-8-18(23(28)19(27)9-17)24(34)13-4-5-20-21(7-13)33-22(12-29-20)15-10-30-31-11-15/h1-12H,(H,30,31)(H,32,35)
InChIKeyWUFFYMXOFKQDOR-UHFFFAOYSA-N
XLogP4.92
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.41
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea
CID 90083412
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]urea
CID 89445278
3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide
CID 90134664
3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide
CID 90135466
N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide
CID 90080128
N-[3-(1,3-benzoxazole-6-carbonyl)-4,5-difluorophenyl]-3-fluorobenzamide
CID 90081311
3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide
CID 89443473
N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide
CID 90080006
1-[3,4-difluoro-5-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
CID 89445176
N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide
CID 154795411
(3-pyridin-3-ylquinoxalin-6-yl)-[2,3,6-trifluoro-5-[(3-fluorophenyl)methoxy]phenyl]methanone
CID 89477903
4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 89443461

Frequently Asked Questions

What is the IUPAC name of N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide (CID 89445075) is N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide is O=C(Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1)c1cccc(F)c1.
What is the InChIKey of N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide?
The InChIKey is WUFFYMXOFKQDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F3N5O2/c26-16-3-1-2-14(6-16)25(35)32-17-8-18(23(28)19(27)9-17)24(34)13-4-5-20-21(7-13)33-22(12-29-20)15-10-30-31-11-15/h1-12H,(H,30,31)(H,32,35).
What are the key properties of N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide?
N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide has a molecular weight of 473.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 89445075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).