3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide

C26H17F2N5O2 — CID 90135466

IUPAC3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide
SMILESCn1cc(-c2cnc3ccc(C(=O)c4ccc(NC(=O)c5cccc(F)c5)cc4F)cc3n2)cn1
InChIInChI=1S/C26H17F2N5O2/c1-33-14-17(12-30-33)24-13-29-22-8-5-15(10-23(22)32-24)25(34)20-7-6-19(11-21(20)28)31-26(35)16-3-2-4-18(27)9-16/h2-14H,1H3,(H,31,35)
InChIKeyDKBLICJWIXLAJL-UHFFFAOYSA-N
MW469.45 g/mol
LogP4.79
Rot. Bonds5

About 3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide

3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide (PubChem CID 90135466) has the molecular formula C26H17F2N5O2 and a molecular weight of 469.45 g/mol. Its IUPAC name is 3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide
PubChem CID90135466
Molecular FormulaC26H17F2N5O2
Molecular Weight469.45 g/mol
Exact Mass469.14
IUPAC Name3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide
SMILESCn1cc(-c2cnc3ccc(C(=O)c4ccc(NC(=O)c5cccc(F)c5)cc4F)cc3n2)cn1
InChIInChI=1S/C26H17F2N5O2/c1-33-14-17(12-30-33)24-13-29-22-8-5-15(10-23(22)32-24)25(34)20-7-6-19(11-21(20)28)31-26(35)16-3-2-4-18(27)9-16/h2-14H,1H3,(H,31,35)
InChIKeyDKBLICJWIXLAJL-UHFFFAOYSA-N
XLogP4.79
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide
CID 90134664
N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide
CID 89445075
1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 142602260
1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75202979
3-fluoro-N-(1-methylindazol-6-yl)benzamide
CID 110462740
N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide
CID 90080128
N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 163494503
3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443919
N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-carboxamide
CID 122184262
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
1-[4-[2-(2-aminoethoxy)ethoxy]-3-bromophenyl]-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea
CID 171060057
5-[(3-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 60508290

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide (CID 90135466) is 3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide is Cn1cc(-c2cnc3ccc(C(=O)c4ccc(NC(=O)c5cccc(F)c5)cc4F)cc3n2)cn1.
What is the InChIKey of 3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide?
The InChIKey is DKBLICJWIXLAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N5O2/c1-33-14-17(12-30-33)24-13-29-22-8-5-15(10-23(22)32-24)25(34)20-7-6-19(11-21(20)28)31-26(35)16-3-2-4-18(27)9-16/h2-14H,1H3,(H,31,35).
What are the key properties of 3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide?
3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide has a molecular weight of 469.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide is sourced from PubChem (CID 90135466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).