Bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide

C₁₆₅H₁₄₁F₇N₂₈O₁₀ — CID 158511839

About Bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide

Bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide (PubChem CID 158511839) has the molecular formula C₁₆₅H₁₄₁F₇N₂₈O₁₀ and a molecular weight of 2809.11 g/mol. Its IUPAC name is bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: Bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
• PubChem CID: 158511839
• Molecular Formula: C₁₆₅H₁₄₁F₇N₂₈O₁₀
• Molecular Weight: 2809.11 g/mol
• Exact Mass: 2807.13
• IUPAC Name: bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(OC)c1F.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)ccc1F.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)cc(OC)c1F.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)cc(OC)c1F.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)ccc1F.Cc1cc(-c2c[nH]c3ncc(-c4ccc(F)c(NC(=O)/C=C/CN(C)C)c4)cc23)ccn1.Cc1cc(-c2c[nH]c3ncc(-c4ccc(F)c(NC(=O)/C=C/CN(C)C)c4)cc23)ccn1
• InChI: InChI=1S/2C25H24FN5O.C24H20FN3O2.2C23H19FN4O2.C23H18FN3O.C22H17FN4O/c2*1-16-11-18(8-9-27-16)21-15-29-25-20(21)12-19(14-28-25)17-6-7-22(26)23(13-17)30-24(32)5-4-10-31(2)3;1-4-22(29)28-20-10-16(11-21(30-3)23(20)25)17-9-18-19(13-27-24(18)26-12-17)15-7-5-6-14(2)8-15;2*1-4-21(29)28-19-9-15(10-20(30-3)22(19)24)16-8-17-18(12-27-23(17)26-11-16)14-5-6-25-13(2)7-14;1-3-22(28)27-21-11-15(7-8-20(21)24)17-10-18-19(13-26-23(18)25-12-17)16-6-4-5-14(2)9-16;1-3-21(28)27-20-10-14(4-5-19(20)23)16-9-17-18(12-26-22(17)25-11-16)15-6-7-24-13(2)8-15/h2*4-9,11-15H,10H2,1-3H3,(H,28,29)(H,30,32);4-13H,1H2,2-3H3,(H,26,27)(H,28,29);2*4-12H,1H2,2-3H3,(H,26,27)(H,28,29);3-13H,1H2,2H3,(H,25,26)(H,27,28);3-12H,1H2,2H3,(H,25,26)(H,27,28)/b2*5-4+
• InChIKey: HLDRKJAVBMDYDQ-QIFONALCSA-N
• XLogP: 35.15
• TPSA: 503.08 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 24
• Rotatable Bonds: 35
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2809.11
LogP ≤ 5	35.15
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide?

The IUPAC name of Bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide (CID 158511839) is bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide.

What is the SMILES notation for Bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide?

The canonical SMILES for Bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(OC)c1F.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)ccc1F.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)cc(OC)c1F.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)cc(OC)c1F.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)ccc1F.Cc1cc(-c2c[nH]c3ncc(-c4ccc(F)c(NC(=O)/C=C/CN(C)C)c4)cc23)ccn1.Cc1cc(-c2c[nH]c3ncc(-c4ccc(F)c(NC(=O)/C=C/CN(C)C)c4)cc23)ccn1.

What is the InChIKey of Bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide?

The InChIKey is HLDRKJAVBMDYDQ-QIFONALCSA-N. The full InChI is InChI=1S/2C25H24FN5O.C24H20FN3O2.2C23H19FN4O2.C23H18FN3O.C22H17FN4O/c2*1-16-11-18(8-9-27-16)21-15-29-25-20(21)12-19(14-28-25)17-6-7-22(26)23(13-17)30-24(32)5-4-10-31(2)3;1-4-22(29)28-20-10-16(11-21(30-3)23(20)25)17-9-18-19(13-27-24(18)26-12-17)15-7-5-6-14(2)8-15;2*1-4-21(29)28-19-9-15(10-20(30-3)22(19)24)16-8-17-18(12-27-23(17)26-11-16)14-5-6-25-13(2)7-14;1-3-22(28)27-21-11-15(7-8-20(21)24)17-10-18-19(13-26-23(18)25-12-17)16-6-4-5-14(2)9-16;1-3-21(28)27-20-10-14(4-5-19(20)23)16-9-17-18(12-26-22(17)25-11-16)15-6-7-24-13(2)8-15/h2*4-9,11-15H,10H2,1-3H3,(H,28,29)(H,30,32);4-13H,1H2,2-3H3,(H,26,27)(H,28,29);2*4-12H,1H2,2-3H3,(H,26,27)(H,28,29);3-13H,1H2,2H3,(H,25,26)(H,27,28);3-12H,1H2,2H3,(H,25,26)(H,27,28)/b2*5-4+;;;;;.

What are the key properties of Bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide?

Bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide has a molecular weight of 2809.11 g/mol, XLogP of 35.15, 35 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for Bis((E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 158511839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158511839 — identifiers, structure, computed properties (public domain)

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