2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one

C21H13ClFN5O — CID 154656682

IUPAC2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1[nH]nc2c(Cl)cc(-c3nc4ccc(=O)[nH]c4nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C21H13ClFN5O/c1-10-14-8-12(9-15(22)20(14)28-27-10)19-18(11-2-4-13(23)5-3-11)26-21-16(24-19)6-7-17(29)25-21/h2-9H,1H3,(H,27,28)(H,25,26,29)
InChIKeyKSOOFIWVHRJIGN-UHFFFAOYSA-N
MW405.82 g/mol
LogP4.63
Rot. Bonds2

About 2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one

2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 154656682) has the molecular formula C21H13ClFN5O and a molecular weight of 405.82 g/mol. Its IUPAC name is 2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID154656682
Molecular FormulaC21H13ClFN5O
Molecular Weight405.82 g/mol
Exact Mass405.08
IUPAC Name2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1[nH]nc2c(Cl)cc(-c3nc4ccc(=O)[nH]c4nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C21H13ClFN5O/c1-10-14-8-12(9-15(22)20(14)28-27-10)19-18(11-2-4-13(23)5-3-11)26-21-16(24-19)6-7-17(29)25-21/h2-9H,1H3,(H,27,28)(H,25,26,29)
InChIKeyKSOOFIWVHRJIGN-UHFFFAOYSA-N
XLogP4.63
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.82
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one (CID 154656682) is 2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one is Cc1[nH]nc2c(Cl)cc(-c3nc4ccc(=O)[nH]c4nc3-c3ccc(F)cc3)cc12.
What is the InChIKey of 2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is KSOOFIWVHRJIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN5O/c1-10-14-8-12(9-15(22)20(14)28-27-10)19-18(11-2-4-13(23)5-3-11)26-21-16(24-19)6-7-17(29)25-21/h2-9H,1H3,(H,27,28)(H,25,26,29).
What are the key properties of 2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one?
2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 405.82 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-methyl-2H-indazol-5-yl)-3-(4-fluorophenyl)-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154656682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).