3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide

C86H79N27O10S3 — CID 159949353

IUPAC3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccc4cc[nH]c4n3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3nc4ccccc4[nH]3)n2)cc1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C24H24N8O2.C24H23N7O2S.2C19H16N6O3S/c25-21-20(22(33)31-24-29-17-4-1-2-5-18(17)30-24)28-19(14-27-21)15-6-8-16(9-7-15)23(34)32-12-3-10-26-11-13-32;25-21-20(22(32)30-24-29-17-4-1-2-5-19(17)34-24)28-18(14-27-21)15-6-8-16(9-7-15)23(33)31-12-3-10-26-11-13-31;1-29(27,28)13-5-2-11(3-6-13)14-10-22-17(20)16(23-14)19(26)25-15-7-4-12-8-9-21-18(12)24-15;1-29(27,28)12-8-6-11(7-9-12)15-10-21-17(20)16(22-15)18(26)25-19-23-13-4-2-3-5-14(13)24-19/h1-2,4-9,14,26H,3,10-13H2,(H2,25,27)(H2,29,30,31,33);1-2,4-9,14,26H,3,10-13H2,(H2,25,27)(H,29,30,32);2-10H,1H3,(H2,20,22)(H2,21,24,25,26);2-10H,1H3,(H2,20,21)(H2,23,24,25,26)
InChIKeyOBXDRVSBDJVIJO-UHFFFAOYSA-N
MW1746.96 g/mol
LogP9.83
Rot. Bonds16

About 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide

3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide (PubChem CID 159949353) has the molecular formula C86H79N27O10S3 and a molecular weight of 1746.96 g/mol. Its IUPAC name is 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide
PubChem CID159949353
Molecular FormulaC86H79N27O10S3
Molecular Weight1746.96 g/mol
Exact Mass1745.57
IUPAC Name3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccc4cc[nH]c4n3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3nc4ccccc4[nH]3)n2)cc1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C24H24N8O2.C24H23N7O2S.2C19H16N6O3S/c25-21-20(22(33)31-24-29-17-4-1-2-5-18(17)30-24)28-19(14-27-21)15-6-8-16(9-7-15)23(34)32-12-3-10-26-11-13-32;25-21-20(22(32)30-24-29-17-4-1-2-5-19(17)34-24)28-18(14-27-21)15-6-8-16(9-7-15)23(33)31-12-3-10-26-11-13-31;1-29(27,28)13-5-2-11(3-6-13)14-10-22-17(20)16(23-14)19(26)25-15-7-4-12-8-9-21-18(12)24-15;1-29(27,28)12-8-6-11(7-9-12)15-10-21-17(20)16(22-15)18(26)25-19-23-13-4-2-3-5-14(13)24-19/h1-2,4-9,14,26H,3,10-13H2,(H2,25,27)(H2,29,30,31,33);1-2,4-9,14,26H,3,10-13H2,(H2,25,27)(H,29,30,32);2-10H,1H3,(H2,20,22)(H2,21,24,25,26);2-10H,1H3,(H2,20,21)(H2,23,24,25,26)
InChIKeyOBXDRVSBDJVIJO-UHFFFAOYSA-N
XLogP9.83
TPSA555.49 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001746.96
LogP ≤ 59.83
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Analyze 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide (CID 159949353) is 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide is CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccc4cc[nH]c4n3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3nc4ccccc4[nH]3)n2)cc1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide?
The InChIKey is OBXDRVSBDJVIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2.C24H23N7O2S.2C19H16N6O3S/c25-21-20(22(33)31-24-29-17-4-1-2-5-18(17)30-24)28-19(14-27-21)15-6-8-16(9-7-15)23(34)32-12-3-10-26-11-13-32;25-21-20(22(32)30-24-29-17-4-1-2-5-19(17)34-24)28-18(14-27-21)15-6-8-16(9-7-15)23(33)31-12-3-10-26-11-13-31;1-29(27,28)13-5-2-11(3-6-13)14-10-22-17(20)16(23-14)19(26)25-15-7-4-12-8-9-21-18(12)24-15;1-29(27,28)12-8-6-11(7-9-12)15-10-21-17(20)16(22-15)18(26)25-19-23-13-4-2-3-5-14(13)24-19/h1-2,4-9,14,26H,3,10-13H2,(H2,25,27)(H2,29,30,31,33);1-2,4-9,14,26H,3,10-13H2,(H2,25,27)(H,29,30,32);2-10H,1H3,(H2,20,22)(H2,21,24,25,26);2-10H,1H3,(H2,20,21)(H2,23,24,25,26).
What are the key properties of 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide?
3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide has a molecular weight of 1746.96 g/mol, XLogP of 9.83, 16 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1H-benzimidazol-2-yl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 159949353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).