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

C18H14FN5 — CID 137430825

IUPAC6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
SMILESCc1[nH]nc2ccc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C18H14FN5/c1-10-14-8-12(4-7-15(14)24-23-10)17-18(22-16(20)9-21-17)11-2-5-13(19)6-3-11/h2-9H,1H3,(H2,20,22)(H,23,24)
InChIKeyNLJDIXKPUOHJGG-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.72
Rot. Bonds2

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

6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine (PubChem CID 137430825) has the molecular formula C18H14FN5 and a molecular weight of 319.34 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
PubChem CID137430825
Molecular FormulaC18H14FN5
Molecular Weight319.34 g/mol
Exact Mass319.12
IUPAC Name6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
SMILESCc1[nH]nc2ccc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C18H14FN5/c1-10-14-8-12(4-7-15(14)24-23-10)17-18(22-16(20)9-21-17)11-2-5-13(19)6-3-11/h2-9H,1H3,(H2,20,22)(H,23,24)
InChIKeyNLJDIXKPUOHJGG-UHFFFAOYSA-N
XLogP3.72
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine (CID 137430825) is 6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine is Cc1[nH]nc2ccc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12.
What is the InChIKey of 6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
The InChIKey is NLJDIXKPUOHJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5/c1-10-14-8-12(4-7-15(14)24-23-10)17-18(22-16(20)9-21-17)11-2-5-13(19)6-3-11/h2-9H,1H3,(H2,20,22)(H,23,24).
What are the key properties of 6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine has a molecular weight of 319.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 137430825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).