3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile

C19H11ClFN5 — CID 164957355

IUPAC3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile
SMILESCc1cnc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cccc(C#N)c2F)n1
InChIInChI=1S/C19H11ClFN5/c1-10-8-23-18(12-5-13-9-24-26-17(13)15(20)6-12)19(25-10)14-4-2-3-11(7-22)16(14)21/h2-6,8-9H,1H3,(H,24,26)
InChIKeyBIWQXTZVLRTWOP-UHFFFAOYSA-N
MW363.78 g/mol
LogP4.66
Rot. Bonds2

About 3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile

3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile (PubChem CID 164957355) has the molecular formula C19H11ClFN5 and a molecular weight of 363.78 g/mol. Its IUPAC name is 3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile
PubChem CID164957355
Molecular FormulaC19H11ClFN5
Molecular Weight363.78 g/mol
Exact Mass363.07
IUPAC Name3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile
SMILESCc1cnc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cccc(C#N)c2F)n1
InChIInChI=1S/C19H11ClFN5/c1-10-8-23-18(12-5-13-9-24-26-17(13)15(20)6-12)19(25-10)14-4-2-3-11(7-22)16(14)21/h2-6,8-9H,1H3,(H,24,26)
InChIKeyBIWQXTZVLRTWOP-UHFFFAOYSA-N
XLogP4.66
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile?
The IUPAC name of 3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile (CID 164957355) is 3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile?
The canonical SMILES for 3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile is Cc1cnc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cccc(C#N)c2F)n1.
What is the InChIKey of 3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile?
The InChIKey is BIWQXTZVLRTWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN5/c1-10-8-23-18(12-5-13-9-24-26-17(13)15(20)6-12)19(25-10)14-4-2-3-11(7-22)16(14)21/h2-6,8-9H,1H3,(H,24,26).
What are the key properties of 3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile?
3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile has a molecular weight of 363.78 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-chloro-1H-indazol-5-yl)-6-methylpyrazin-2-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 164957355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).