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

C18H10ClFN6 — CID 137430727

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluorophenyl)pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cccc(F)c2)nc1N
InChIInChI=1S/C18H10ClFN6/c19-13-6-10(4-11-8-23-26-15(11)13)17-16(9-2-1-3-12(20)5-9)25-18(22)14(7-21)24-17/h1-6,8H,(H2,22,25)(H,23,26)
InChIKeyUZHBCASYFYJYJM-UHFFFAOYSA-N
MW364.77 g/mol
LogP3.93
Rot. Bonds2

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

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluorophenyl)pyrazine-2-carbonitrile (PubChem CID 137430727) has the molecular formula C18H10ClFN6 and a molecular weight of 364.77 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluorophenyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluorophenyl)pyrazine-2-carbonitrile
PubChem CID137430727
Molecular FormulaC18H10ClFN6
Molecular Weight364.77 g/mol
Exact Mass364.06
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluorophenyl)pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cccc(F)c2)nc1N
InChIInChI=1S/C18H10ClFN6/c19-13-6-10(4-11-8-23-26-15(11)13)17-16(9-2-1-3-12(20)5-9)25-18(22)14(7-21)24-17/h1-6,8H,(H2,22,25)(H,23,26)
InChIKeyUZHBCASYFYJYJM-UHFFFAOYSA-N
XLogP3.93
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.77
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluorophenyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluorophenyl)pyrazine-2-carbonitrile (CID 137430727) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluorophenyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluorophenyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluorophenyl)pyrazine-2-carbonitrile is N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cccc(F)c2)nc1N.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluorophenyl)pyrazine-2-carbonitrile?
The InChIKey is UZHBCASYFYJYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN6/c19-13-6-10(4-11-8-23-26-15(11)13)17-16(9-2-1-3-12(20)5-9)25-18(22)14(7-21)24-17/h1-6,8H,(H2,22,25)(H,23,26).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluorophenyl)pyrazine-2-carbonitrile?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluorophenyl)pyrazine-2-carbonitrile has a molecular weight of 364.77 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3-fluorophenyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137430727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).