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

C115H103N23O10 — CID 159493615

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

(E)-4-(dimethylamino)-N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide (PubChem CID 159493615) has the molecular formula C115H103N23O10 and a molecular weight of 1967.24 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-4-(dimethylamino)-N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide
• PubChem CID: 159493615
• Molecular Formula: C115H103N23O10
• Molecular Weight: 1967.24 g/mol
• Exact Mass: 1965.83
• IUPAC Name: (E)-4-(dimethylamino)-N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(OC)c4)c3c2)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccncn4)c3c2)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4cncc(C)c4)c3c2)c1.CCc1nccc(-c2c[nH]c3ncc(-c4cccc(NC(=O)/C=C/CN(C)C)c4)cc23)n1
• InChI: InChI=1S/C25H26N6O.C23H20N4O3.2C23H20N4O2.C21H17N5O2/c1-4-23-26-11-10-22(30-23)21-16-28-25-20(21)14-18(15-27-25)17-7-5-8-19(13-17)29-24(32)9-6-12-31(2)3;1-4-21(28)27-17-7-15(8-18(11-17)29-2)16-9-19-20(13-26-23(19)25-12-16)14-5-6-24-22(10-14)30-3;1-4-22(28)27-18-6-15(7-19(9-18)29-3)16-8-20-21(13-26-23(20)25-12-16)17-5-14(2)10-24-11-17;1-4-22(28)27-18-8-16(9-19(11-18)29-3)17-10-20-21(13-26-23(20)25-12-17)15-5-6-24-14(2)7-15;1-3-20(27)26-15-6-13(7-16(9-15)28-2)14-8-17-18(11-24-21(17)23-10-14)19-4-5-22-12-25-19/h5-11,13-16H,4,12H2,1-3H3,(H,27,28)(H,29,32);4-13H,1H2,2-3H3,(H,25,26)(H,27,28);2*4-13H,1H2,2-3H3,(H,25,26)(H,27,28);3-12H,1H2,2H3,(H,23,24)(H,26,27)/b9-6+
• InChIKey: LYMRLEIWINDQPC-MPMAQEBPSA-N
• XLogP: 22.03
• TPSA: 428.52 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1967.24
LogP ≤ 5	22.03
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (E)-4-(dimethylamino)-N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide (CID 159493615) is (E)-4-(dimethylamino)-N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide.

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

The canonical SMILES for (E)-4-(dimethylamino)-N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(OC)c4)c3c2)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccncn4)c3c2)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4cncc(C)c4)c3c2)c1.CCc1nccc(-c2c[nH]c3ncc(-c4cccc(NC(=O)/C=C/CN(C)C)c4)cc23)n1.

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

The InChIKey is LYMRLEIWINDQPC-MPMAQEBPSA-N. The full InChI is InChI=1S/C25H26N6O.C23H20N4O3.2C23H20N4O2.C21H17N5O2/c1-4-23-26-11-10-22(30-23)21-16-28-25-20(21)14-18(15-27-25)17-7-5-8-19(13-17)29-24(32)9-6-12-31(2)3;1-4-21(28)27-17-7-15(8-18(11-17)29-2)16-9-19-20(13-26-23(19)25-12-16)14-5-6-24-22(10-14)30-3;1-4-22(28)27-18-6-15(7-19(9-18)29-3)16-8-20-21(13-26-23(20)25-12-16)17-5-14(2)10-24-11-17;1-4-22(28)27-18-8-16(9-19(11-18)29-3)17-10-20-21(13-26-23(20)25-12-17)15-5-6-24-14(2)7-15;1-3-20(27)26-15-6-13(7-16(9-15)28-2)14-8-17-18(11-24-21(17)23-10-14)19-4-5-22-12-25-19/h5-11,13-16H,4,12H2,1-3H3,(H,27,28)(H,29,32);4-13H,1H2,2-3H3,(H,25,26)(H,27,28);2*4-13H,1H2,2-3H3,(H,25,26)(H,27,28);3-12H,1H2,2H3,(H,23,24)(H,26,27)/b9-6+;;;;.

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

(E)-4-(dimethylamino)-N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide has a molecular weight of 1967.24 g/mol, XLogP of 22.03, 28 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-4-(dimethylamino)-N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 159493615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).