3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile

C21H10ClFN6O — CID 154656754

IUPAC3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile
SMILESN#Cc1cccc(-c2nc3[nH]c(=O)ccc3nc2-c2cc(Cl)c3[nH]ncc3c2)c1F
InChIInChI=1S/C21H10ClFN6O/c22-14-7-11(6-12-9-25-29-18(12)14)19-20(13-3-1-2-10(8-24)17(13)23)28-21-15(26-19)4-5-16(30)27-21/h1-7,9H,(H,25,29)(H,27,28,30)
InChIKeyFYQDYJHKKMLWAB-UHFFFAOYSA-N
MW416.80 g/mol
LogP4.19
Rot. Bonds2

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

3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile (PubChem CID 154656754) has the molecular formula C21H10ClFN6O and a molecular weight of 416.80 g/mol. Its IUPAC name is 3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile
PubChem CID154656754
Molecular FormulaC21H10ClFN6O
Molecular Weight416.80 g/mol
Exact Mass416.06
IUPAC Name3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile
SMILESN#Cc1cccc(-c2nc3[nH]c(=O)ccc3nc2-c2cc(Cl)c3[nH]ncc3c2)c1F
InChIInChI=1S/C21H10ClFN6O/c22-14-7-11(6-12-9-25-29-18(12)14)19-20(13-3-1-2-10(8-24)17(13)23)28-21-15(26-19)4-5-16(30)27-21/h1-7,9H,(H,25,29)(H,27,28,30)
InChIKeyFYQDYJHKKMLWAB-UHFFFAOYSA-N
XLogP4.19
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.80
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile?
The IUPAC name of 3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile (CID 154656754) is 3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile?
The canonical SMILES for 3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile is N#Cc1cccc(-c2nc3[nH]c(=O)ccc3nc2-c2cc(Cl)c3[nH]ncc3c2)c1F.
What is the InChIKey of 3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile?
The InChIKey is FYQDYJHKKMLWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10ClFN6O/c22-14-7-11(6-12-9-25-29-18(12)14)19-20(13-3-1-2-10(8-24)17(13)23)28-21-15(26-19)4-5-16(30)27-21/h1-7,9H,(H,25,29)(H,27,28,30).
What are the key properties of 3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile?
3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile has a molecular weight of 416.80 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-chloro-1H-indazol-5-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 154656754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).