3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide

C55H44ClN11O4S2 — CID 158249798

About 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[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;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 158249798) has the molecular formula C55H44ClN11O4S2 and a molecular weight of 1022.62 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;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[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;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 158249798
• Molecular Formula: C55H44ClN11O4S2
• Molecular Weight: 1022.62 g/mol
• Exact Mass: 1021.27
• IUPAC Name: 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide
• SMILES: Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2ncc(-c3cccnc3)nc2s1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2ncc(Cl)nc2s1
• InChI: InChI=1S/C30H24N6O2S.C25H20ClN5O2S/c1-18-9-10-22(34-27(37)19-6-4-8-21(12-19)30(2,3)17-31)13-23(18)35-28(38)26-14-24-29(39-26)36-25(16-33-24)20-7-5-11-32-15-20;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/h4-16H,1-3H3,(H,34,37)(H,35,38);4-12H,1-3H3,(H,29,32)(H,30,33)
• InChIKey: GGONKCGPUOZPMK-UHFFFAOYSA-N
• XLogP: 12.33
• TPSA: 228.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1022.62
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

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;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[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;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide (CID 158249798) is 3-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[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;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[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;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide is Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1cc2ncc(-c3cccnc3)nc2s1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=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;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide?

The InChIKey is GGONKCGPUOZPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O2S.C25H20ClN5O2S/c1-18-9-10-22(34-27(37)19-6-4-8-21(12-19)30(2,3)17-31)13-23(18)35-28(38)26-14-24-29(39-26)36-25(16-33-24)20-7-5-11-32-15-20;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/h4-16H,1-3H3,(H,34,37)(H,35,38);4-12H,1-3H3,(H,29,32)(H,30,33).

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;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[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;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 1022.62 g/mol, XLogP of 12.33, 11 rotatable bonds, 4 hydrogen bond donors, and 13 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;N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-pyridin-3-ylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 158249798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).