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

C18H10ClFN6 — CID 137430739

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-fluorophenyl)pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2F)nc1N
InChIInChI=1S/C18H10ClFN6/c19-12-6-9(5-10-8-23-26-15(10)12)16-17(11-3-1-2-4-13(11)20)25-18(22)14(7-21)24-16/h1-6,8H,(H2,22,25)(H,23,26)
InChIKeyDIXLPKSSUXZMME-UHFFFAOYSA-N
MW364.77 g/mol
LogP3.93
Rot. Bonds2

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

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-fluorophenyl)pyrazine-2-carbonitrile (PubChem CID 137430739) 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-(2-fluorophenyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-fluorophenyl)pyrazine-2-carbonitrile
PubChem CID137430739
Molecular FormulaC18H10ClFN6
Molecular Weight364.77 g/mol
Exact Mass364.06
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-fluorophenyl)pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2F)nc1N
InChIInChI=1S/C18H10ClFN6/c19-12-6-9(5-10-8-23-26-15(10)12)16-17(11-3-1-2-4-13(11)20)25-18(22)14(7-21)24-16/h1-6,8H,(H2,22,25)(H,23,26)
InChIKeyDIXLPKSSUXZMME-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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Related Compounds

US10100045, Example 20
CID 134450391
N-[(3-chloro-2-fluorophenyl)methyl]-4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine
CID 167427835
5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137423687
5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
CID 137423776
3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
CID 137423788
3-Amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile
CID 137423835
N-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine
CID 24872599
N-[2-chloro-4-(trifluoromethyl)phenyl]-7-[2-(dimethylamino)phenyl]-N-ethyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine
CID 68912182
N-[3-(3-chlorophenyl)-4-fluorophenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 69416320
6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)pyridin-2-amine
CID 73669946
N-[2-chloro-4-(trifluoromethyl)phenyl]-7-(2,6-difluorophenyl)-N-ethyl-1H-pyrazolo[4,3-d]pyrimidin-5-amine
CID 87621261
2-(4-Amino-7-fluoropyrazolo[4,3-c]pyridin-2-yl)-3-chlorobenzonitrile
CID 89809193

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-fluorophenyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-fluorophenyl)pyrazine-2-carbonitrile (CID 137430739) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-fluorophenyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-fluorophenyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-fluorophenyl)pyrazine-2-carbonitrile is N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2F)nc1N.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-fluorophenyl)pyrazine-2-carbonitrile?
The InChIKey is DIXLPKSSUXZMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN6/c19-12-6-9(5-10-8-23-26-15(10)12)16-17(11-3-1-2-4-13(11)20)25-18(22)14(7-21)24-16/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-(2-fluorophenyl)pyrazine-2-carbonitrile?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-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-(2-fluorophenyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137430739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).