8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one

C26H17F4N5O3 — CID 152816604

IUPAC8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
SMILESO=C(Cc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1F)Cc1cc(C(F)(F)F)ccc1-n1cccn1
InChIInChI=1S/C26H17F4N5O3/c27-20-13-19(38-22-6-8-31-25-24(22)32-14-23(37)34-25)4-2-15(20)11-18(36)12-16-10-17(26(28,29)30)3-5-21(16)35-9-1-7-33-35/h1-10,13-14H,11-12H2,(H,31,34,37)
InChIKeySSMTUSDOTLUYLR-UHFFFAOYSA-N
MW523.45 g/mol
LogP4.81
Rot. Bonds7

About 8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one

8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 152816604) has the molecular formula C26H17F4N5O3 and a molecular weight of 523.45 g/mol. Its IUPAC name is 8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
PubChem CID152816604
Molecular FormulaC26H17F4N5O3
Molecular Weight523.45 g/mol
Exact Mass523.13
IUPAC Name8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
SMILESO=C(Cc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1F)Cc1cc(C(F)(F)F)ccc1-n1cccn1
InChIInChI=1S/C26H17F4N5O3/c27-20-13-19(38-22-6-8-31-25-24(22)32-14-23(37)34-25)4-2-15(20)11-18(36)12-16-10-17(26(28,29)30)3-5-21(16)35-9-1-7-33-35/h1-10,13-14H,11-12H2,(H,31,34,37)
InChIKeySSMTUSDOTLUYLR-UHFFFAOYSA-N
XLogP4.81
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[(2-amino-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-2-fluorophenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 44133177
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(2-fluoro-4-(3-oxo-3,4-dihydropyrido[3,2-b]pyrazin-8-yloxy)phenyl)urea
CID 46899945
N-[(3,5-difluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
CID 141482475
3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-3-pyridinyl]oxy]ethyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 145950618
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]oxy]ethyl]benzamide
CID 145950676
N-[(4-fluorophenyl)methyl]-3-[1-[[2-[(1-methylpyrazol-4-yl)amino]-3-pyridinyl]oxy]ethyl]benzamide
CID 145953442
N-(2-aminophenyl)-6-[4-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]pyrazol-1-yl]hexanamide
CID 177378998
US20250090540, Example I-111
CID 167512307
US20250090540, Example I-122
CID 176509991
5-(4-Benzyloxyphenylacetylamino)-3-(4-fluorophenyl)-1-methyl-4-(4-pyridyl)pyrazole
CID 18674187
1-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
CID 44132038
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
CID 44132372

Frequently Asked Questions

What is the IUPAC name of 8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one (CID 152816604) is 8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one is O=C(Cc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1F)Cc1cc(C(F)(F)F)ccc1-n1cccn1.
What is the InChIKey of 8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is SSMTUSDOTLUYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F4N5O3/c27-20-13-19(38-22-6-8-31-25-24(22)32-14-23(37)34-25)4-2-15(20)11-18(36)12-16-10-17(26(28,29)30)3-5-21(16)35-9-1-7-33-35/h1-10,13-14H,11-12H2,(H,31,34,37).
What are the key properties of 8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?
8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 523.45 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-fluoro-4-[2-oxo-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propyl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 152816604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).