3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile

C18H9Cl2FN6 — CID 137430883

IUPAC3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccc(Cl)c(F)c2)nc1N
InChIInChI=1S/C18H9Cl2FN6/c19-11-2-1-8(5-13(11)21)16-17(25-14(6-22)18(23)26-16)9-3-10-7-24-27-15(10)12(20)4-9/h1-5,7H,(H2,23,26)(H,24,27)
InChIKeyRJTBVSUWNVJOMI-UHFFFAOYSA-N
MW399.22 g/mol
LogP4.59
Rot. Bonds2

About 3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile

3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile (PubChem CID 137430883) has the molecular formula C18H9Cl2FN6 and a molecular weight of 399.22 g/mol. Its IUPAC name is 3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile
PubChem CID137430883
Molecular FormulaC18H9Cl2FN6
Molecular Weight399.22 g/mol
Exact Mass398.02
IUPAC Name3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccc(Cl)c(F)c2)nc1N
InChIInChI=1S/C18H9Cl2FN6/c19-11-2-1-8(5-13(11)21)16-17(25-14(6-22)18(23)26-16)9-3-10-7-24-27-15(10)12(20)4-9/h1-5,7H,(H2,23,26)(H,24,27)
InChIKeyRJTBVSUWNVJOMI-UHFFFAOYSA-N
XLogP4.59
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.22
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile (CID 137430883) is 3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile is N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccc(Cl)c(F)c2)nc1N.
What is the InChIKey of 3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile?
The InChIKey is RJTBVSUWNVJOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2FN6/c19-11-2-1-8(5-13(11)21)16-17(25-14(6-22)18(23)26-16)9-3-10-7-24-27-15(10)12(20)4-9/h1-5,7H,(H2,23,26)(H,24,27).
What are the key properties of 3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile?
3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile has a molecular weight of 399.22 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-chloro-3-fluorophenyl)-6-(7-chloro-1H-indazol-5-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137430883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).