3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]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-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-yl)pyrazine-2-carboxamide

C97H97N31O8S — CID 158378347

IUPAC3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]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-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-yl)pyrazine-2-carboxamide
SMILESCn1c(NC(=O)c2nc(-c3ccc(C(=O)N4CCCNCC4)cc3)cnc2N)nc2ccccc21.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1n[nH]c2ccccc12.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C25H26N8O2.2C24H24N8O2.C24H23N7O2S/c1-32-20-6-3-2-5-18(20)30-25(32)31-23(34)21-22(26)28-15-19(29-21)16-7-9-17(10-8-16)24(35)33-13-4-11-27-12-14-33;25-21-20(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(23(33)29-22-17-4-1-2-5-18(17)30-31-22)28-19(14-27-21)15-6-8-16(9-7-15)24(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/h2-3,5-10,15,27H,4,11-14H2,1H3,(H2,26,28)(H,30,31,34);2*1-2,4-9,14,26H,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)
InChIKeyGVMCPFZSSYWWGM-UHFFFAOYSA-N
MW1857.12 g/mol
LogP9.90
Rot. Bonds16

About 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]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-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-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-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-yl)pyrazine-2-carboxamide (PubChem CID 158378347) has the molecular formula C97H97N31O8S and a molecular weight of 1857.12 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-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-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-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-yl)pyrazine-2-carboxamide
PubChem CID158378347
Molecular FormulaC97H97N31O8S
Molecular Weight1857.12 g/mol
Exact Mass1855.79
IUPAC Name3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]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-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-yl)pyrazine-2-carboxamide
SMILESCn1c(NC(=O)c2nc(-c3ccc(C(=O)N4CCCNCC4)cc3)cnc2N)nc2ccccc21.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1n[nH]c2ccccc12.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1nc2ccccc2[nH]1.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C25H26N8O2.2C24H24N8O2.C24H23N7O2S/c1-32-20-6-3-2-5-18(20)30-25(32)31-23(34)21-22(26)28-15-19(29-21)16-7-9-17(10-8-16)24(35)33-13-4-11-27-12-14-33;25-21-20(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(23(33)29-22-17-4-1-2-5-18(17)30-31-22)28-19(14-27-21)15-6-8-16(9-7-15)24(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/h2-3,5-10,15,27H,4,11-14H2,1H3,(H2,26,28)(H,30,31,34);2*1-2,4-9,14,26H,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)
InChIKeyGVMCPFZSSYWWGM-UHFFFAOYSA-N
XLogP9.90
TPSA541.03 Ų
H-Bond Donors14
H-Bond Acceptors30
Rotatable Bonds16
Heavy Atoms137
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001857.12
LogP ≤ 59.90
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1030

Analyze 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]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-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-yl)pyrazine-2-carboxamide 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 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]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-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-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-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-yl)pyrazine-2-carboxamide (CID 158378347) is 3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]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-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-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-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-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-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-yl)pyrazine-2-carboxamide is Cn1c(NC(=O)c2nc(-c3ccc(C(=O)N4CCCNCC4)cc3)cnc2N)nc2ccccc21.Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1n[nH]c2ccccc12.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-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is GVMCPFZSSYWWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2.2C24H24N8O2.C24H23N7O2S/c1-32-20-6-3-2-5-18(20)30-25(32)31-23(34)21-22(26)28-15-19(29-21)16-7-9-17(10-8-16)24(35)33-13-4-11-27-12-14-33;25-21-20(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(23(33)29-22-17-4-1-2-5-18(17)30-31-22)28-19(14-27-21)15-6-8-16(9-7-15)24(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/h2-3,5-10,15,27H,4,11-14H2,1H3,(H2,26,28)(H,30,31,34);2*1-2,4-9,14,26H,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).
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-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-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-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 1857.12 g/mol, XLogP of 9.90, 16 rotatable bonds, 14 hydrogen bond donors, and 30 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-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1-methylbenzimidazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 158378347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).