2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one

C23H15ClF3N5O — CID 167370996

IUPAC2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2cc1CCC(F)(F)F
InChIInChI=1S/C23H15ClF3N5O/c24-16-9-14(8-15-11-28-32-18(15)16)20-19(12-4-2-1-3-5-12)30-21-17(29-20)10-13(22(33)31-21)6-7-23(25,26)27/h1-5,8-11H,6-7H2,(H,28,32)(H,30,31,33)
InChIKeyVIQMCLBDCIJXEQ-UHFFFAOYSA-N
MW469.85 g/mol
LogP5.68
Rot. Bonds4

About 2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one

2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 167370996) has the molecular formula C23H15ClF3N5O and a molecular weight of 469.85 g/mol. Its IUPAC name is 2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID167370996
Molecular FormulaC23H15ClF3N5O
Molecular Weight469.85 g/mol
Exact Mass469.09
IUPAC Name2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2cc1CCC(F)(F)F
InChIInChI=1S/C23H15ClF3N5O/c24-16-9-14(8-15-11-28-32-18(15)16)20-19(12-4-2-1-3-5-12)30-21-17(29-20)10-13(22(33)31-21)6-7-23(25,26)27/h1-5,8-11H,6-7H2,(H,28,32)(H,30,31,33)
InChIKeyVIQMCLBDCIJXEQ-UHFFFAOYSA-N
XLogP5.68
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.85
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one (CID 167370996) is 2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one is O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2cc1CCC(F)(F)F.
What is the InChIKey of 2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is VIQMCLBDCIJXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N5O/c24-16-9-14(8-15-11-28-32-18(15)16)20-19(12-4-2-1-3-5-12)30-21-17(29-20)10-13(22(33)31-21)6-7-23(25,26)27/h1-5,8-11H,6-7H2,(H,28,32)(H,30,31,33).
What are the key properties of 2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one?
2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 469.85 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1H-indazol-5-yl)-3-phenyl-7-(3,3,3-trifluoropropyl)-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 167370996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).