6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile

C94H68Cl4N30 — CID 158794715

IUPAC6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile
SMILESCn1cc(CNc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)cn1.Cn1ccc(CNc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)c1.Cn1cnc(CNc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)c1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NCc1cccnc1
InChIInChI=1S/C24H18ClN7.C24H16ClN7.2C23H17ClN8/c1-32-8-7-15(14-32)12-27-24-20(11-26)29-23(22(30-24)16-5-3-2-4-6-16)17-9-18-13-28-31-21(18)19(25)10-17;25-19-10-17(9-18-14-29-32-21(18)19)23-22(16-6-2-1-3-7-16)31-24(20(11-26)30-23)28-13-15-5-4-8-27-12-15;1-32-13-14(11-28-32)10-26-23-19(9-25)29-22(21(30-23)15-5-3-2-4-6-15)16-7-17-12-27-31-20(17)18(24)8-16;1-32-12-17(27-13-32)11-26-23-19(9-25)29-22(21(30-23)14-5-3-2-4-6-14)15-7-16-10-28-31-20(16)18(24)8-15/h2-10,13-14H,12H2,1H3,(H,27,30)(H,28,31);1-10,12,14H,13H2,(H,28,31)(H,29,32);2-8,11-13H,10H2,1H3,(H,26,30)(H,27,31);2-8,10,12-13H,11H2,1H3,(H,26,30)(H,28,31)
InChIKeyISSMAIQZGQAMFF-UHFFFAOYSA-N
MW1759.60 g/mol
LogP19.50
Rot. Bonds20

About 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile

6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile (PubChem CID 158794715) has the molecular formula C94H68Cl4N30 and a molecular weight of 1759.60 g/mol. Its IUPAC name is 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile
PubChem CID158794715
Molecular FormulaC94H68Cl4N30
Molecular Weight1759.60 g/mol
Exact Mass1756.50
IUPAC Name6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile
SMILESCn1cc(CNc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)cn1.Cn1ccc(CNc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)c1.Cn1cnc(CNc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)c1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NCc1cccnc1
InChIInChI=1S/C24H18ClN7.C24H16ClN7.2C23H17ClN8/c1-32-8-7-15(14-32)12-27-24-20(11-26)29-23(22(30-24)16-5-3-2-4-6-16)17-9-18-13-28-31-21(18)19(25)10-17;25-19-10-17(9-18-14-29-32-21(18)19)23-22(16-6-2-1-3-7-16)31-24(20(11-26)30-23)28-13-15-5-4-8-27-12-15;1-32-13-14(11-28-32)10-26-23-19(9-25)29-22(21(30-23)15-5-3-2-4-6-15)16-7-17-12-27-31-20(17)18(24)8-16;1-32-12-17(27-13-32)11-26-23-19(9-25)29-22(21(30-23)14-5-3-2-4-6-14)15-7-16-10-28-31-20(16)18(24)8-15/h2-10,13-14H,12H2,1H3,(H,27,30)(H,28,31);1-10,12,14H,13H2,(H,28,31)(H,29,32);2-8,11-13H,10H2,1H3,(H,26,30)(H,27,31);2-8,10,12-13H,11H2,1H3,(H,26,30)(H,28,31)
InChIKeyISSMAIQZGQAMFF-UHFFFAOYSA-N
XLogP19.50
TPSA414.58 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms128
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001759.60
LogP ≤ 519.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile (CID 158794715) is 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile is Cn1cc(CNc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)cn1.Cn1ccc(CNc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)c1.Cn1cnc(CNc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)c1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NCc1cccnc1.
What is the InChIKey of 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile?
The InChIKey is ISSMAIQZGQAMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN7.C24H16ClN7.2C23H17ClN8/c1-32-8-7-15(14-32)12-27-24-20(11-26)29-23(22(30-24)16-5-3-2-4-6-16)17-9-18-13-28-31-21(18)19(25)10-17;25-19-10-17(9-18-14-29-32-21(18)19)23-22(16-6-2-1-3-7-16)31-24(20(11-26)30-23)28-13-15-5-4-8-27-12-15;1-32-13-14(11-28-32)10-26-23-19(9-25)29-22(21(30-23)15-5-3-2-4-6-15)16-7-17-12-27-31-20(17)18(24)8-16;1-32-12-17(27-13-32)11-26-23-19(9-25)29-22(21(30-23)14-5-3-2-4-6-14)15-7-16-10-28-31-20(16)18(24)8-15/h2-10,13-14H,12H2,1H3,(H,27,30)(H,28,31);1-10,12,14H,13H2,(H,28,31)(H,29,32);2-8,11-13H,10H2,1H3,(H,26,30)(H,27,31);2-8,10,12-13H,11H2,1H3,(H,26,30)(H,28,31).
What are the key properties of 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile?
6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile has a molecular weight of 1759.60 g/mol, XLogP of 19.50, 20 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 158794715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).