N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride

C50H46ClN11O5S2 — CID 162132543

About N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride

N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride (PubChem CID 162132543) has the molecular formula C50H46ClN11O5S2 and a molecular weight of 980.58 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
• PubChem CID: 162132543
• Molecular Formula: C50H46ClN11O5S2
• Molecular Weight: 980.58 g/mol
• Exact Mass: 979.28
• IUPAC Name: N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
• SMILES: CC(C)(C#N)c1cccc(C(=O)O)c1.Cc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)Nc2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2nccnc2s1.Cl
• InChI: InChI=1S/C25H22N6O2S.C14H12N4OS.C11H11NO2.ClH/c1-15-7-8-18(30-24(33)29-17-6-4-5-16(11-17)25(2,3)14-26)12-19(15)31-22(32)21-13-20-23(34-21)28-10-9-27-20;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;1-11(2,7-12)9-5-3-4-8(6-9)10(13)14;/h4-13H,1-3H3,(H,31,32)(H2,29,30,33);2-7H,15H2,1H3,(H,18,19);3-6H,1-2H3,(H,13,14);1H
• InChIKey: MNBVSLBDNMIFDT-UHFFFAOYSA-N
• XLogP: 11.14
• TPSA: 261.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	980.58
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride?

The IUPAC name of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride (CID 162132543) is N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride.

What is the SMILES notation for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride?

The canonical SMILES for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride is CC(C)(C#N)c1cccc(C(=O)O)c1.Cc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)Nc2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2nccnc2s1.Cl.

What is the InChIKey of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride?

The InChIKey is MNBVSLBDNMIFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2S.C14H12N4OS.C11H11NO2.ClH/c1-15-7-8-18(30-24(33)29-17-6-4-5-16(11-17)25(2,3)14-26)12-19(15)31-22(32)21-13-20-23(34-21)28-10-9-27-20;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;1-11(2,7-12)9-5-3-4-8(6-9)10(13)14;/h4-13H,1-3H3,(H,31,32)(H2,29,30,33);2-7H,15H2,1H3,(H,18,19);3-6H,1-2H3,(H,13,14);1H.

What are the key properties of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride?

N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride has a molecular weight of 980.58 g/mol, XLogP of 11.14, 9 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(2-cyanopropan-2-yl)benzoic acid;N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbamoylamino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride is sourced from PubChem (CID 162132543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).