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

C145H117F9N28O9 — CID 161497180

IUPAC(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-methoxy-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-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-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc5[nH]c(C)cc45)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cncc(C)c4)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc5[nH]ccc45)c3c2)c1.C=CC(=O)Nc1cncc(-c2cnc3[nH]cc(-c4ccnc(OC)c4)c3c2)c1.Cc1cc2c(-c3c[nH]c4ncc(-c5cc(NC(=O)/C=C/CN(C)C)cc(C(F)(F)F)c5)cc34)ccnc2[nH]1
InChIInChI=1S/C28H25F3N6O.C25H18F3N5O.C24H19N5O2.C24H21N3O2.C23H17F3N4O.C21H17N5O2/c1-16-9-22-21(6-7-32-27(22)35-16)24-15-34-26-23(24)12-18(14-33-26)17-10-19(28(29,30)31)13-20(11-17)36-25(38)5-4-8-37(2)3;1-3-22(34)33-17-8-14(7-16(10-17)25(26,27)28)15-9-20-21(12-31-23(20)30-11-15)18-4-5-29-24-19(18)6-13(2)32-24;1-3-22(30)29-16-8-14(9-17(11-16)31-2)15-10-20-21(13-28-24(20)27-12-15)18-4-6-25-23-19(18)5-7-26-23;1-4-23(28)27-19-9-17(10-20(12-19)29-3)18-11-21-22(14-26-24(21)25-13-18)16-7-5-6-15(2)8-16;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;1-3-19(27)26-16-6-14(9-22-11-16)15-7-17-18(12-25-21(17)24-10-15)13-4-5-23-20(8-13)28-2/h4-7,9-15H,8H2,1-3H3,(H,32,35)(H,33,34)(H,36,38);3-12H,1H2,2H3,(H,29,32)(H,30,31)(H,33,34);3-13H,1H2,2H3,(H,25,26)(H,27,28)(H,29,30);4-14H,1H2,2-3H3,(H,25,26)(H,27,28);3-12H,1H2,2H3,(H,28,29)(H,30,31);3-12H,1H2,2H3,(H,24,25)(H,26,27)/b5-4+;;;;;
InChIKeyWGJCJWLKOFKWDY-FNMVVZLKSA-N
MW2566.70 g/mol
LogP32.19
Rot. Bonds29

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

(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-methoxy-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-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-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 161497180) has the molecular formula C145H117F9N28O9 and a molecular weight of 2566.70 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-methoxy-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-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-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-methoxy-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-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-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID161497180
Molecular FormulaC145H117F9N28O9
Molecular Weight2566.70 g/mol
Exact Mass2564.94
IUPAC Name(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-methoxy-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-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-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc5[nH]c(C)cc45)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cncc(C)c4)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc5[nH]ccc45)c3c2)c1.C=CC(=O)Nc1cncc(-c2cnc3[nH]cc(-c4ccnc(OC)c4)c3c2)c1.Cc1cc2c(-c3c[nH]c4ncc(-c5cc(NC(=O)/C=C/CN(C)C)cc(C(F)(F)F)c5)cc34)ccnc2[nH]1
InChIInChI=1S/C28H25F3N6O.C25H18F3N5O.C24H19N5O2.C24H21N3O2.C23H17F3N4O.C21H17N5O2/c1-16-9-22-21(6-7-32-27(22)35-16)24-15-34-26-23(24)12-18(14-33-26)17-10-19(28(29,30)31)13-20(11-17)36-25(38)5-4-8-37(2)3;1-3-22(34)33-17-8-14(7-16(10-17)25(26,27)28)15-9-20-21(12-31-23(20)30-11-15)18-4-5-29-24-19(18)6-13(2)32-24;1-3-22(30)29-16-8-14(9-17(11-16)31-2)15-10-20-21(13-28-24(20)27-12-15)18-4-6-25-23-19(18)5-7-26-23;1-4-23(28)27-19-9-17(10-20(12-19)29-3)18-11-21-22(14-26-24(21)25-13-18)16-7-5-6-15(2)8-16;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;1-3-19(27)26-16-6-14(9-22-11-16)15-7-17-18(12-25-21(17)24-10-15)13-4-5-23-20(8-13)28-2/h4-7,9-15H,8H2,1-3H3,(H,32,35)(H,33,34)(H,36,38);3-12H,1H2,2H3,(H,29,32)(H,30,31)(H,33,34);3-13H,1H2,2H3,(H,25,26)(H,27,28)(H,29,30);4-14H,1H2,2-3H3,(H,25,26)(H,27,28);3-12H,1H2,2H3,(H,28,29)(H,30,31);3-12H,1H2,2H3,(H,24,25)(H,26,27)/b5-4+;;;;;
InChIKeyWGJCJWLKOFKWDY-FNMVVZLKSA-N
XLogP32.19
TPSA502.32 Ų
H-Bond Donors15
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002566.70
LogP ≤ 532.19
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-methoxy-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-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-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-methoxy-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-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-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide (CID 161497180) is (E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-methoxy-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-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-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-methoxy-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-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-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-methoxy-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-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-b]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(-c4ccnc5[nH]c(C)cc45)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cncc(C)c4)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc5[nH]ccc45)c3c2)c1.C=CC(=O)Nc1cncc(-c2cnc3[nH]cc(-c4ccnc(OC)c4)c3c2)c1.Cc1cc2c(-c3c[nH]c4ncc(-c5cc(NC(=O)/C=C/CN(C)C)cc(C(F)(F)F)c5)cc34)ccnc2[nH]1.
What is the InChIKey of (E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-methoxy-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-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-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is WGJCJWLKOFKWDY-FNMVVZLKSA-N. The full InChI is InChI=1S/C28H25F3N6O.C25H18F3N5O.C24H19N5O2.C24H21N3O2.C23H17F3N4O.C21H17N5O2/c1-16-9-22-21(6-7-32-27(22)35-16)24-15-34-26-23(24)12-18(14-33-26)17-10-19(28(29,30)31)13-20(11-17)36-25(38)5-4-8-37(2)3;1-3-22(34)33-17-8-14(7-16(10-17)25(26,27)28)15-9-20-21(12-31-23(20)30-11-15)18-4-5-29-24-19(18)6-13(2)32-24;1-3-22(30)29-16-8-14(9-17(11-16)31-2)15-10-20-21(13-28-24(20)27-12-15)18-4-6-25-23-19(18)5-7-26-23;1-4-23(28)27-19-9-17(10-20(12-19)29-3)18-11-21-22(14-26-24(21)25-13-18)16-7-5-6-15(2)8-16;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;1-3-19(27)26-16-6-14(9-22-11-16)15-7-17-18(12-25-21(17)24-10-15)13-4-5-23-20(8-13)28-2/h4-7,9-15H,8H2,1-3H3,(H,32,35)(H,33,34)(H,36,38);3-12H,1H2,2H3,(H,29,32)(H,30,31)(H,33,34);3-13H,1H2,2H3,(H,25,26)(H,27,28)(H,29,30);4-14H,1H2,2-3H3,(H,25,26)(H,27,28);3-12H,1H2,2H3,(H,28,29)(H,30,31);3-12H,1H2,2H3,(H,24,25)(H,26,27)/b5-4+;;;;;.
What are the key properties of (E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-methoxy-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-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-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-methoxy-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-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-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 2566.70 g/mol, XLogP of 32.19, 29 rotatable bonds, 15 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-methoxy-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-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-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 161497180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).