1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea

C22H14F5N5O3 — CID 46899948

IUPAC1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
SMILESCc1nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)c2[nH]c1=O
InChIInChI=1S/C22H14F5N5O3/c1-10-20(33)32-18-17(6-7-28-19(18)29-10)35-12-3-5-15(14(24)9-12)30-21(34)31-16-8-11(22(25,26)27)2-4-13(16)23/h2-9H,1H3,(H,32,33)(H2,30,31,34)
InChIKeyCWWQDIIQANAFAA-UHFFFAOYSA-N
MW491.38 g/mol
LogP5.36
Rot. Bonds4

About 1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea

1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea (PubChem CID 46899948) has the molecular formula C22H14F5N5O3 and a molecular weight of 491.38 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
PubChem CID46899948
Molecular FormulaC22H14F5N5O3
Molecular Weight491.38 g/mol
Exact Mass491.10
IUPAC Name1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
SMILESCc1nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)c2[nH]c1=O
InChIInChI=1S/C22H14F5N5O3/c1-10-20(33)32-18-17(6-7-28-19(18)29-10)35-12-3-5-15(14(24)9-12)30-21(34)31-16-8-11(22(25,26)27)2-4-13(16)23/h2-9H,1H3,(H,32,33)(H2,30,31,34)
InChIKeyCWWQDIIQANAFAA-UHFFFAOYSA-N
XLogP5.36
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.38
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea (CID 46899948) is 1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea is Cc1nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)c2[nH]c1=O.
What is the InChIKey of 1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
The InChIKey is CWWQDIIQANAFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F5N5O3/c1-10-20(33)32-18-17(6-7-28-19(18)29-10)35-12-3-5-15(14(24)9-12)30-21(34)31-16-8-11(22(25,26)27)2-4-13(16)23/h2-9H,1H3,(H,32,33)(H2,30,31,34).
What are the key properties of 1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea has a molecular weight of 491.38 g/mol, XLogP of 5.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 46899948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).