5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine

C18H13ClFN5 — CID 137430829

IUPAC5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine
SMILESCc1[nH]nc2c(Cl)cc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C18H13ClFN5/c1-9-13-6-11(7-14(19)18(13)25-24-9)16-17(23-15(21)8-22-16)10-2-4-12(20)5-3-10/h2-8H,1H3,(H2,21,23)(H,24,25)
InChIKeyQAZWHTHZNAQNBO-UHFFFAOYSA-N
MW353.79 g/mol
LogP4.37
Rot. Bonds2

About 5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine

5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine (PubChem CID 137430829) has the molecular formula C18H13ClFN5 and a molecular weight of 353.79 g/mol. Its IUPAC name is 5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine
PubChem CID137430829
Molecular FormulaC18H13ClFN5
Molecular Weight353.79 g/mol
Exact Mass353.08
IUPAC Name5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine
SMILESCc1[nH]nc2c(Cl)cc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C18H13ClFN5/c1-9-13-6-11(7-14(19)18(13)25-24-9)16-17(23-15(21)8-22-16)10-2-4-12(20)5-3-10/h2-8H,1H3,(H2,21,23)(H,24,25)
InChIKeyQAZWHTHZNAQNBO-UHFFFAOYSA-N
XLogP4.37
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine?
The IUPAC name of 5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine (CID 137430829) is 5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine.
What is the SMILES notation for 5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine?
The canonical SMILES for 5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine is Cc1[nH]nc2c(Cl)cc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12.
What is the InChIKey of 5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine?
The InChIKey is QAZWHTHZNAQNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5/c1-9-13-6-11(7-14(19)18(13)25-24-9)16-17(23-15(21)8-22-16)10-2-4-12(20)5-3-10/h2-8H,1H3,(H2,21,23)(H,24,25).
What are the key properties of 5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine?
5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine has a molecular weight of 353.79 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine is sourced from PubChem (CID 137430829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).