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

C72H71N23O6S — CID 162160099

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
SMILESNc1ncc(-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/2C24H24N8O2.C24H23N7O2S/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(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*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)
InChIKeyZMJAFXDRZXRUKY-UHFFFAOYSA-N
MW1386.58 g/mol
LogP7.60
Rot. Bonds12

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-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 (PubChem CID 162160099) has the molecular formula C72H71N23O6S and a molecular weight of 1386.58 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.

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
PubChem CID162160099
Molecular FormulaC72H71N23O6S
Molecular Weight1386.58 g/mol
Exact Mass1385.57
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
SMILESNc1ncc(-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/2C24H24N8O2.C24H23N7O2S/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(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*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)
InChIKeyZMJAFXDRZXRUKY-UHFFFAOYSA-N
XLogP7.60
TPSA409.97 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001386.58
LogP ≤ 57.60
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

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 with MolForge

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Related Compounds

3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 159487418
3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide
CID 130206360
3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxamide;3-amino-6-[4-(dimethylcarbamoyl)phenyl]pyrazine-2-carboxylic acid;methyl 3-amino-6-bromopyrazine-2-carboxylate
CID 157444862
(E)-3-amino-N-(1,3-benzothiazol-2-yl)-2-[1-[4-(1,4-diazepane-1-carbonyl)phenyl]prop-2-enylideneamino]but-2-enamide
CID 135269996
1,4-diazepan-1-yl-[4-[5-methyl-6-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]phenyl]methanone
CID 135137321
N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide
CID 43327538
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone
CID 154700389
N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide
CID 129094014
5-[4-(piperazine-1-carbonyl)phenyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 156501650
5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 45482651
N-[4-(1,3-benzothiazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026683
N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine
CID 160746986

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?
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 (CID 162160099) 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.
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?
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 is 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?
The InChIKey is ZMJAFXDRZXRUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H24N8O2.C24H23N7O2S/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(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*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-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 has a molecular weight of 1386.58 g/mol, XLogP of 7.60, 12 rotatable bonds, 11 hydrogen bond donors, and 22 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 is sourced from PubChem (CID 162160099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).