(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide

C93H90Cl3N17O5 — CID 159804169

About (E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide

(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide (PubChem CID 159804169) has the molecular formula C93H90Cl3N17O5 and a molecular weight of 1632.22 g/mol. Its IUPAC name is (E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide
• PubChem CID: 159804169
• Molecular Formula: C93H90Cl3N17O5
• Molecular Weight: 1632.22 g/mol
• Exact Mass: 1629.64
• IUPAC Name: (E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide
• SMILES: C=CC(=O)Nc1cc(-c2cnc3[nH]cc(C)c3c2)ccc1Cl.CC/C=C/C(=O)Nc1cc(-c2cnc3[nH]cc(C)c3c2)ccc1Cl.CC/C=C/C(=O)Nc1cccc(-c2cnc3[nH]cc(C)c3c2)c1.Cc1c[nH]c2ncc(-c3ccc(Cl)c(NC(=O)/C=C/N(C)C)c3)cc12.Cc1c[nH]c2ncc(-c3cccc(NC(=O)/C=C/N(C)C)c3)cc12
• InChI: InChI=1S/C19H19ClN4O.C19H18ClN3O.C19H20N4O.C19H19N3O.C17H14ClN3O/c1-12-10-21-19-15(12)8-14(11-22-19)13-4-5-16(20)17(9-13)23-18(25)6-7-24(2)3;1-3-4-5-18(24)23-17-9-13(6-7-16(17)20)14-8-15-12(2)10-21-19(15)22-11-14;1-13-11-20-19-17(13)10-15(12-21-19)14-5-4-6-16(9-14)22-18(24)7-8-23(2)3;1-3-4-8-18(23)22-16-7-5-6-14(9-16)15-10-17-13(2)11-20-19(17)21-12-15;1-3-16(22)21-15-7-11(4-5-14(15)18)12-6-13-10(2)8-19-17(13)20-9-12/h4-11H,1-3H3,(H,21,22)(H,23,25);4-11H,3H2,1-2H3,(H,21,22)(H,23,24);4-12H,1-3H3,(H,20,21)(H,22,24);4-12H,3H2,1-2H3,(H,20,21)(H,22,23);3-9H,1H2,2H3,(H,19,20)(H,21,22)/b7-6+;5-4+;8-7+;8-4+
• InChIKey: NKEGWBVBEHOJJS-GHZPVZTASA-N
• XLogP: 21.61
• TPSA: 295.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1632.22
LogP ≤ 5	21.61
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide?

The IUPAC name of (E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide (CID 159804169) is (E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide.

What is the SMILES notation for (E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide?

The canonical SMILES for (E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide is C=CC(=O)Nc1cc(-c2cnc3[nH]cc(C)c3c2)ccc1Cl.CC/C=C/C(=O)Nc1cc(-c2cnc3[nH]cc(C)c3c2)ccc1Cl.CC/C=C/C(=O)Nc1cccc(-c2cnc3[nH]cc(C)c3c2)c1.Cc1c[nH]c2ncc(-c3ccc(Cl)c(NC(=O)/C=C/N(C)C)c3)cc12.Cc1c[nH]c2ncc(-c3cccc(NC(=O)/C=C/N(C)C)c3)cc12.

What is the InChIKey of (E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide?

The InChIKey is NKEGWBVBEHOJJS-GHZPVZTASA-N. The full InChI is InChI=1S/C19H19ClN4O.C19H18ClN3O.C19H20N4O.C19H19N3O.C17H14ClN3O/c1-12-10-21-19-15(12)8-14(11-22-19)13-4-5-16(20)17(9-13)23-18(25)6-7-24(2)3;1-3-4-5-18(24)23-17-9-13(6-7-16(17)20)14-8-15-12(2)10-21-19(15)22-11-14;1-13-11-20-19-17(13)10-15(12-21-19)14-5-4-6-16(9-14)22-18(24)7-8-23(2)3;1-3-4-8-18(23)22-16-7-5-6-14(9-16)15-10-17-13(2)11-20-19(17)21-12-15;1-3-16(22)21-15-7-11(4-5-14(15)18)12-6-13-10(2)8-19-17(13)20-9-12/h4-11H,1-3H3,(H,21,22)(H,23,25);4-11H,3H2,1-2H3,(H,21,22)(H,23,24);4-12H,1-3H3,(H,20,21)(H,22,24);4-12H,3H2,1-2H3,(H,20,21)(H,22,23);3-9H,1H2,2H3,(H,19,20)(H,21,22)/b7-6+;5-4+;8-7+;8-4+;.

What are the key properties of (E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide?

(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide has a molecular weight of 1632.22 g/mol, XLogP of 21.61, 19 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-3-(dimethylamino)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;(E)-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide is sourced from PubChem (CID 159804169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).