N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide

C25H18F3N5O3 — CID 90080006

IUPACN-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1cc(F)c(F)c(C(=O)c2cc3nc(N4CCOCC4)cnc3cn2)c1)c1cccc(F)c1
InChIInChI=1S/C25H18F3N5O3/c26-15-3-1-2-14(8-15)25(35)31-16-9-17(23(28)18(27)10-16)24(34)20-11-19-21(12-29-20)30-13-22(32-19)33-4-6-36-7-5-33/h1-3,8-13H,4-7H2,(H,31,35)
InChIKeyNHWXTJKMZYUPEZ-UHFFFAOYSA-N
MW493.45 g/mol
LogP3.76
Rot. Bonds5

About N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide

N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide (PubChem CID 90080006) has the molecular formula C25H18F3N5O3 and a molecular weight of 493.45 g/mol. Its IUPAC name is N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide
PubChem CID90080006
Molecular FormulaC25H18F3N5O3
Molecular Weight493.45 g/mol
Exact Mass493.14
IUPAC NameN-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1cc(F)c(F)c(C(=O)c2cc3nc(N4CCOCC4)cnc3cn2)c1)c1cccc(F)c1
InChIInChI=1S/C25H18F3N5O3/c26-15-3-1-2-14(8-15)25(35)31-16-9-17(23(28)18(27)10-16)24(34)20-11-19-21(12-29-20)30-13-22(32-19)33-4-6-36-7-5-33/h1-3,8-13H,4-7H2,(H,31,35)
InChIKeyNHWXTJKMZYUPEZ-UHFFFAOYSA-N
XLogP3.76
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-(3-fluorophenyl)urea
CID 90080431
3-chloro-N-[3,4-difluoro-5-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide
CID 89445214
1-[3,4-difluoro-5-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71533640
4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443057
4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89445010
N-[3,4-difluoro-5-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
CID 71268676
1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea
CID 89443365
N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide
CID 89445075
N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide
CID 90080128
(2-fluoro-5-hydroxyphenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone
CID 89478345
N-[3-(1,3-benzoxazole-6-carbonyl)-4,5-difluorophenyl]-3-fluorobenzamide
CID 90081311
N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
CID 89444097

Frequently Asked Questions

What is the IUPAC name of N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide?
The IUPAC name of N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide (CID 90080006) is N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide is O=C(Nc1cc(F)c(F)c(C(=O)c2cc3nc(N4CCOCC4)cnc3cn2)c1)c1cccc(F)c1.
What is the InChIKey of N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide?
The InChIKey is NHWXTJKMZYUPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O3/c26-15-3-1-2-14(8-15)25(35)31-16-9-17(23(28)18(27)10-16)24(34)20-11-19-21(12-29-20)30-13-22(32-19)33-4-6-36-7-5-33/h1-3,8-13H,4-7H2,(H,31,35).
What are the key properties of N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide?
N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide has a molecular weight of 493.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 90080006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).