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

C18H9ClF2N6 — CID 137430743

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-difluorophenyl)pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccc(F)c(F)c2)nc1N
InChIInChI=1S/C18H9ClF2N6/c19-11-4-9(3-10-7-24-27-15(10)11)17-16(26-18(23)14(6-22)25-17)8-1-2-12(20)13(21)5-8/h1-5,7H,(H2,23,26)(H,24,27)
InChIKeyMKPINQYZQQFSCT-UHFFFAOYSA-N
MW382.76 g/mol
LogP4.07
Rot. Bonds2

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

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-difluorophenyl)pyrazine-2-carbonitrile (PubChem CID 137430743) has the molecular formula C18H9ClF2N6 and a molecular weight of 382.76 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-difluorophenyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-difluorophenyl)pyrazine-2-carbonitrile
PubChem CID137430743
Molecular FormulaC18H9ClF2N6
Molecular Weight382.76 g/mol
Exact Mass382.05
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-difluorophenyl)pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccc(F)c(F)c2)nc1N
InChIInChI=1S/C18H9ClF2N6/c19-11-4-9(3-10-7-24-27-15(10)11)17-16(26-18(23)14(6-22)25-17)8-1-2-12(20)13(21)5-8/h1-5,7H,(H2,23,26)(H,24,27)
InChIKeyMKPINQYZQQFSCT-UHFFFAOYSA-N
XLogP4.07
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.76
LogP ≤ 54.07
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-(3,4-difluorophenyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-difluorophenyl)pyrazine-2-carbonitrile (CID 137430743) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-difluorophenyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-difluorophenyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-difluorophenyl)pyrazine-2-carbonitrile is N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccc(F)c(F)c2)nc1N.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-difluorophenyl)pyrazine-2-carbonitrile?
The InChIKey is MKPINQYZQQFSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF2N6/c19-11-4-9(3-10-7-24-27-15(10)11)17-16(26-18(23)14(6-22)25-17)8-1-2-12(20)13(21)5-8/h1-5,7H,(H2,23,26)(H,24,27).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-difluorophenyl)pyrazine-2-carbonitrile?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(3,4-difluorophenyl)pyrazine-2-carbonitrile has a molecular weight of 382.76 g/mol, XLogP of 4.07, 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-(3,4-difluorophenyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137430743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).