N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide

C126H105F9N24O6 — CID 159905756

About N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide

N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 159905756) has the molecular formula C126H105F9N24O6 and a molecular weight of 2222.37 g/mol. Its IUPAC name is N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide
• PubChem CID: 159905756
• Molecular Formula: C126H105F9N24O6
• Molecular Weight: 2222.37 g/mol
• Exact Mass: 2220.85
• IUPAC Name: N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cncc(C)c4)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cncc5[nH]c(C)cc45)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4cncc5c4C=CC5)c3c2)c1.Cc1cc2c(-c3c[nH]c4ncc(-c5cc(NC(=O)/C=C/CN(C)C)cc(C(F)(F)F)c5)cc34)cncc2[nH]1.Cc1cncc(-c2c[nH]c3ncc(-c4cccc(NC(=O)/C=C/CN(C)C)c4)cc23)c1
• InChI: InChI=1S/C28H25F3N6O.C25H18F3N5O.C25H25N5O.C25H20N4O2.C23H17F3N4O/c1-16-7-21-23(13-32-15-25(21)35-16)24-14-34-27-22(24)10-18(12-33-27)17-8-19(28(29,30)31)11-20(9-17)36-26(38)5-4-6-37(2)3;1-3-23(34)33-17-6-14(5-16(8-17)25(26,27)28)15-7-19-21(11-31-24(19)30-9-15)20-10-29-12-22-18(20)4-13(2)32-22;1-17-10-20(14-26-13-17)23-16-28-25-22(23)12-19(15-27-25)18-6-4-7-21(11-18)29-24(31)8-5-9-30(2)3;1-3-24(30)29-18-7-16(8-19(10-18)31-2)17-9-21-23(14-28-25(21)27-12-17)22-13-26-11-15-5-4-6-20(15)22;1-3-21(31)30-18-6-14(5-17(8-18)23(24,25)26)15-7-19-20(12-29-22(19)28-11-15)16-4-13(2)9-27-10-16/h4-5,7-15,35H,6H2,1-3H3,(H,33,34)(H,36,38);3-12,32H,1H2,2H3,(H,30,31)(H,33,34);4-8,10-16H,9H2,1-3H3,(H,27,28)(H,29,31);3-4,6-14H,1,5H2,2H3,(H,27,28)(H,29,30);3-12H,1H2,2H3,(H,28,29)(H,30,31)/b5-4+;;8-5+
• InChIKey: NWNWPOKZTQERNY-ZIDWGIGASA-N
• XLogP: 27.78
• TPSA: 400.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2222.37
LogP ≤ 5	27.78
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide?

The IUPAC name of N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide (CID 159905756) is N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide.

What is the SMILES notation for N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide?

The canonical SMILES for N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide is C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cncc(C)c4)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cncc5[nH]c(C)cc45)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4cncc5c4C=CC5)c3c2)c1.Cc1cc2c(-c3c[nH]c4ncc(-c5cc(NC(=O)/C=C/CN(C)C)cc(C(F)(F)F)c5)cc34)cncc2[nH]1.Cc1cncc(-c2c[nH]c3ncc(-c4cccc(NC(=O)/C=C/CN(C)C)c4)cc23)c1.

What is the InChIKey of N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide?

The InChIKey is NWNWPOKZTQERNY-ZIDWGIGASA-N. The full InChI is InChI=1S/C28H25F3N6O.C25H18F3N5O.C25H25N5O.C25H20N4O2.C23H17F3N4O/c1-16-7-21-23(13-32-15-25(21)35-16)24-14-34-27-22(24)10-18(12-33-27)17-8-19(28(29,30)31)11-20(9-17)36-26(38)5-4-6-37(2)3;1-3-23(34)33-17-6-14(5-16(8-17)25(26,27)28)15-7-19-21(11-31-24(19)30-9-15)20-10-29-12-22-18(20)4-13(2)32-22;1-17-10-20(14-26-13-17)23-16-28-25-22(23)12-19(15-27-25)18-6-4-7-21(11-18)29-24(31)8-5-9-30(2)3;1-3-24(30)29-18-7-16(8-19(10-18)31-2)17-9-21-23(14-28-25(21)27-12-17)22-13-26-11-15-5-4-6-20(15)22;1-3-21(31)30-18-6-14(5-17(8-18)23(24,25)26)15-7-19-20(12-29-22(19)28-11-15)16-4-13(2)9-27-10-16/h4-5,7-15,35H,6H2,1-3H3,(H,33,34)(H,36,38);3-12,32H,1H2,2H3,(H,30,31)(H,33,34);4-8,10-16H,9H2,1-3H3,(H,27,28)(H,29,31);3-4,6-14H,1,5H2,2H3,(H,27,28)(H,29,30);3-12H,1H2,2H3,(H,28,29)(H,30,31)/b5-4+;;8-5+;;.

What are the key properties of N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide?

N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 2222.37 g/mol, XLogP of 27.78, 25 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(7H-cyclopenta[c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 159905756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).