3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide

C65H49Cl4N15O7S4 — CID 162205580

About 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide

3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 162205580) has the molecular formula C65H49Cl4N15O7S4 and a molecular weight of 1422.28 g/mol. Its IUPAC name is 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 162205580
• Molecular Formula: C65H49Cl4N15O7S4
• Molecular Weight: 1422.28 g/mol
• Exact Mass: 1419.16
• IUPAC Name: 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide
• SMILES: CNc1cnc2cc(C(=O)Nc3cc(NC(=O)c4cccc(C(C)(C)C#N)c4)ccc3C)sc2n1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2ncc(Cl)nc2s1.O=C(Cl)c1cc2ncc(Cl)nc2s1.O=C(O)c1cc2ncc(Cl)nc2s1
• InChI: InChI=1S/C26H24N6O2S.C25H20ClN5O2S.C7H2Cl2N2OS.C7H3ClN2O2S/c1-15-8-9-18(30-23(33)16-6-5-7-17(10-16)26(2,3)14-27)11-19(15)31-24(34)21-12-20-25(35-21)32-22(28-4)13-29-20;1-14-7-8-17(29-22(32)15-5-4-6-16(9-15)25(2,3)13-27)10-18(14)30-23(33)20-11-19-24(34-20)31-21(26)12-28-19;8-5-2-10-3-1-4(6(9)12)13-7(3)11-5;8-5-2-9-3-1-4(7(11)12)13-6(3)10-5/h5-13H,1-4H3,(H,28,32)(H,30,33)(H,31,34);4-12H,1-3H3,(H,29,32)(H,30,33);1-2H;1-2H,(H,11,12)
• InChIKey: ZSDKOZFBIHVYMX-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 333.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1422.28
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide?

The IUPAC name of 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide (CID 162205580) is 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide.

What is the SMILES notation for 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide?

The canonical SMILES for 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide is CNc1cnc2cc(C(=O)Nc3cc(NC(=O)c4cccc(C(C)(C)C#N)c4)ccc3C)sc2n1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2ncc(Cl)nc2s1.O=C(Cl)c1cc2ncc(Cl)nc2s1.O=C(O)c1cc2ncc(Cl)nc2s1.

What is the InChIKey of 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide?

The InChIKey is ZSDKOZFBIHVYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S.C25H20ClN5O2S.C7H2Cl2N2OS.C7H3ClN2O2S/c1-15-8-9-18(30-23(33)16-6-5-7-17(10-16)26(2,3)14-27)11-19(15)31-24(34)21-12-20-25(35-21)32-22(28-4)13-29-20;1-14-7-8-17(29-22(32)15-5-4-6-16(9-15)25(2,3)13-27)10-18(14)30-23(33)20-11-19-24(34-20)31-21(26)12-28-19;8-5-2-10-3-1-4(6(9)12)13-7(3)11-5;8-5-2-9-3-1-4(7(11)12)13-6(3)10-5/h5-13H,1-4H3,(H,28,32)(H,30,33)(H,31,34);4-12H,1-3H3,(H,29,32)(H,30,33);1-2H;1-2H,(H,11,12).

What are the key properties of 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide?

3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 1422.28 g/mol, XLogP of 16.07, 13 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;3-chlorothieno[2,3-b]pyrazine-6-carbonyl chloride;3-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 162205580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).