3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile

C76H42Cl4FN37O2S — CID 158522726

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile (PubChem CID 158522726) has the molecular formula C76H42Cl4FN37O2S and a molecular weight of 1698.31 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile
• PubChem CID: 158522726
• Molecular Formula: C76H42Cl4FN37O2S
• Molecular Weight: 1698.31 g/mol
• Exact Mass: 1695.28
• IUPAC Name: 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile
• SMILES: N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccno2)nc1N.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cnc[nH]2)nc1N.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cnco2)nc1N.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cncs2)nc1N.N#Cc1nc(-c2cc(F)c3ncccc3c2)c(-c2ncn[nH]2)nc1N
• InChI: InChI=1S/C16H9FN8.C15H9ClN8.2C15H8ClN7O.C15H8ClN7S/c17-10-5-9(4-8-2-1-3-20-12(8)10)13-14(16-21-7-22-25-16)24-15(19)11(6-18)23-13;16-9-2-7(1-8-4-21-24-12(8)9)13-14(11-5-19-6-20-11)23-15(18)10(3-17)22-13;16-9-2-7(1-8-4-20-23-12(8)9)13-14(11-5-19-6-24-11)22-15(18)10(3-17)21-13;16-9-4-7(3-8-6-19-23-12(8)9)13-14(11-1-2-20-24-11)22-15(18)10(5-17)21-13;16-9-2-7(1-8-4-20-23-12(8)9)13-14(11-5-19-6-24-11)22-15(18)10(3-17)21-13/h1-5,7H,(H2,19,24)(H,21,22,25);1-2,4-6H,(H2,18,23)(H,19,20)(H,21,24);1-2,4-6H,(H2,18,22)(H,20,23);1-4,6H,(H2,18,22)(H,19,23);1-2,4-6H,(H2,18,22)(H,20,23)
• InChIKey: HMKIGSQIFRZSAQ-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 640.76 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 10
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1698.31
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile?

The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile (CID 158522726) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile.

What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile?

The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile is N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccno2)nc1N.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cnc[nH]2)nc1N.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cnco2)nc1N.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2cncs2)nc1N.N#Cc1nc(-c2cc(F)c3ncccc3c2)c(-c2ncn[nH]2)nc1N.

What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile?

The InChIKey is HMKIGSQIFRZSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN8.C15H9ClN8.2C15H8ClN7O.C15H8ClN7S/c17-10-5-9(4-8-2-1-3-20-12(8)10)13-14(16-21-7-22-25-16)24-15(19)11(6-18)23-13;16-9-2-7(1-8-4-21-24-12(8)9)13-14(11-5-19-6-20-11)23-15(18)10(3-17)22-13;16-9-2-7(1-8-4-20-23-12(8)9)13-14(11-5-19-6-24-11)22-15(18)10(3-17)21-13;16-9-4-7(3-8-6-19-23-12(8)9)13-14(11-1-2-20-24-11)22-15(18)10(5-17)21-13;16-9-2-7(1-8-4-20-23-12(8)9)13-14(11-5-19-6-24-11)22-15(18)10(3-17)21-13/h1-5,7H,(H2,19,24)(H,21,22,25);1-2,4-6H,(H2,18,23)(H,19,20)(H,21,24);1-2,4-6H,(H2,18,22)(H,20,23);1-4,6H,(H2,18,22)(H,19,23);1-2,4-6H,(H2,18,22)(H,20,23).

What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile?

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile has a molecular weight of 1698.31 g/mol, XLogP of 13.40, 10 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-imidazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-oxazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(8-fluoroquinolin-6-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 158522726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).