ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one)

C43H48F2N8O7 — CID 144793938

About ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one)

ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one) (PubChem CID 144793938) has the molecular formula C43H48F2N8O7 and a molecular weight of 826.90 g/mol. Its IUPAC name is ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one).

Molecular Properties

• Compound Name: ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one)
• PubChem CID: 144793938
• Molecular Formula: C43H48F2N8O7
• Molecular Weight: 826.90 g/mol
• Exact Mass: 826.36
• IUPAC Name: ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one)
• SMILES: C#Cc1cc(-c2cc(OC)cc(C(N)=O)n2)c(F)cc1F.C#Cc1cccc(-c2nc(C(N)=O)c3c(n2)N(C)CC3)c1.CC.CN1CC[C@H](O)C1=O.CN1CC[C@H](O)C1=O
• InChI: InChI=1S/C16H14N4O.C15H10F2N2O2.2C5H9NO2.C2H6/c1-3-10-5-4-6-11(9-10)15-18-13(14(17)21)12-7-8-20(2)16(12)19-15;1-3-8-4-10(12(17)7-11(8)16)13-5-9(21-2)6-14(19-13)15(18)20;2*1-6-3-2-4(7)5(6)8;1-2/h1,4-6,9H,7-8H2,2H3,(H2,17,21);1,4-7H,2H3,(H2,18,20);2*4,7H,2-3H2,1H3;1-2H3/t;;2*4-;/m..00./s1
• InChIKey: PXVKQQQZHZRGSO-ADHVHYEUSA-N
• XLogP: 2.78
• TPSA: 218.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.90
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one)?

The IUPAC name of ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one) (CID 144793938) is ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one).

What is the SMILES notation for ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one)?

The canonical SMILES for ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one) is C#Cc1cc(-c2cc(OC)cc(C(N)=O)n2)c(F)cc1F.C#Cc1cccc(-c2nc(C(N)=O)c3c(n2)N(C)CC3)c1.CC.CN1CC[C@H](O)C1=O.CN1CC[C@H](O)C1=O.

What is the InChIKey of ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one)?

The InChIKey is PXVKQQQZHZRGSO-ADHVHYEUSA-N. The full InChI is InChI=1S/C16H14N4O.C15H10F2N2O2.2C5H9NO2.C2H6/c1-3-10-5-4-6-11(9-10)15-18-13(14(17)21)12-7-8-20(2)16(12)19-15;1-3-8-4-10(12(17)7-11(8)16)13-5-9(21-2)6-14(19-13)15(18)20;2*1-6-3-2-4(7)5(6)8;1-2/h1,4-6,9H,7-8H2,2H3,(H2,17,21);1,4-7H,2H3,(H2,18,20);2*4,7H,2-3H2,1H3;1-2H3/t;;2*4-;/m..00./s1.

What are the key properties of ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one)?

ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one) has a molecular weight of 826.90 g/mol, XLogP of 2.78, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;6-(5-ethynyl-2,4-difluorophenyl)-4-methoxypyridine-2-carboxamide;2-(3-ethynylphenyl)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-4-carboxamide;bis((3S)-3-hydroxy-1-methylpyrrolidin-2-one) is sourced from PubChem (CID 144793938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).