8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide

C47H48F2N14O3 — CID 167500294

About 8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide

8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide (PubChem CID 167500294) has the molecular formula C47H48F2N14O3 and a molecular weight of 894.99 g/mol. Its IUPAC name is 8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide.

Molecular Properties

• Compound Name: 8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide
• PubChem CID: 167500294
• Molecular Formula: C47H48F2N14O3
• Molecular Weight: 894.99 g/mol
• Exact Mass: 894.40
• IUPAC Name: 8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide
• SMILES: COc1cnc2c(N3CC(C)NC(C)C3)ccc(C(=O)Nc3cc(F)c4nc(C)c(C5CN(c6ccc(C(=O)Nc7cc(F)c8nc(C)cn8c7)c7ncc(C)nc67)CC(C)N5)n4c3)c2n1
• InChI: InChI=1S/C47H48F2N14O3/c1-23-14-50-39-31(46(64)57-29-12-33(48)44-55-27(5)19-62(44)20-29)8-11-37(42(39)54-23)61-18-26(4)53-35(22-61)43-28(6)56-45-34(49)13-30(21-63(43)45)58-47(65)32-9-10-36(60-16-24(2)52-25(3)17-60)41-40(32)59-38(66-7)15-51-41/h8-15,19-21,24-26,35,52-53H,16-18,22H2,1-7H3,(H,57,64)(H,58,65)
• InChIKey: CQSQBNCILYMUSZ-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 184.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	894.99
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide?

The IUPAC name of 8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide (CID 167500294) is 8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide.

What is the SMILES notation for 8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide?

The canonical SMILES for 8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide is COc1cnc2c(N3CC(C)NC(C)C3)ccc(C(=O)Nc3cc(F)c4nc(C)c(C5CN(c6ccc(C(=O)Nc7cc(F)c8nc(C)cn8c7)c7ncc(C)nc67)CC(C)N5)n4c3)c2n1.

What is the InChIKey of 8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide?

The InChIKey is CQSQBNCILYMUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H48F2N14O3/c1-23-14-50-39-31(46(64)57-29-12-33(48)44-55-27(5)19-62(44)20-29)8-11-37(42(39)54-23)61-18-26(4)53-35(22-61)43-28(6)56-45-34(49)13-30(21-63(43)45)58-47(65)32-9-10-36(60-16-24(2)52-25(3)17-60)41-40(32)59-38(66-7)15-51-41/h8-15,19-21,24-26,35,52-53H,16-18,22H2,1-7H3,(H,57,64)(H,58,65).

What are the key properties of 8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide?

8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide has a molecular weight of 894.99 g/mol, XLogP of 6.31, 8 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide is sourced from PubChem (CID 167500294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).