N-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C103H83Cl3F3N15O9S — CID 162168437

IUPACN-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESC=C1C=Cc2cc(C(=O)NCC3CCCO3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)NCc3ccccc3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)Nc3nccs3)[nH]c2N1c1ccc(C(F)(F)F)cc1.Cc1cccc(-n2c(=O)ccc3cc(C(=O)O)[nH]c32)c1
InChIInChI=1S/C27H20ClN3O2.C22H18ClN3O.C20H20ClN3O2.C19H13F3N4OS.C15H12N2O3/c1-18-10-11-19-16-25(30-26(19)31(18)22-14-12-20(28)13-15-22)27(32)29-21-6-5-9-24(17-21)33-23-7-3-2-4-8-23;1-15-7-8-17-13-20(22(27)24-14-16-5-3-2-4-6-16)25-21(17)26(15)19-11-9-18(23)10-12-19;1-13-4-5-14-11-18(20(25)22-12-17-3-2-10-26-17)23-19(14)24(13)16-8-6-15(21)7-9-16;1-11-2-3-12-10-15(17(27)25-18-23-8-9-28-18)24-16(12)26(11)14-6-4-13(5-7-14)19(20,21)22;1-9-3-2-4-11(7-9)17-13(18)6-5-10-8-12(15(19)20)16-14(10)17/h2-17,30H,1H2,(H,29,32);2-13,25H,1,14H2,(H,24,27);4-9,11,17,23H,1-3,10,12H2,(H,22,25);2-10,24H,1H2,(H,23,25,27);2-8,16H,1H3,(H,19,20)
InChIKeyZNLNJJJYLCHDIY-UHFFFAOYSA-N
MW1870.31 g/mol
LogP24.67
Rot. Bonds18

About N-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

N-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 162168437) has the molecular formula C103H83Cl3F3N15O9S and a molecular weight of 1870.31 g/mol. Its IUPAC name is N-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound NameN-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID162168437
Molecular FormulaC103H83Cl3F3N15O9S
Molecular Weight1870.31 g/mol
Exact Mass1867.52
IUPAC NameN-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESC=C1C=Cc2cc(C(=O)NCC3CCCO3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)NCc3ccccc3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)Nc3nccs3)[nH]c2N1c1ccc(C(F)(F)F)cc1.Cc1cccc(-n2c(=O)ccc3cc(C(=O)O)[nH]c32)c1
InChIInChI=1S/C27H20ClN3O2.C22H18ClN3O.C20H20ClN3O2.C19H13F3N4OS.C15H12N2O3/c1-18-10-11-19-16-25(30-26(19)31(18)22-14-12-20(28)13-15-22)27(32)29-21-6-5-9-24(17-21)33-23-7-3-2-4-8-23;1-15-7-8-17-13-20(22(27)24-14-16-5-3-2-4-6-16)25-21(17)26(15)19-11-9-18(23)10-12-19;1-13-4-5-14-11-18(20(25)22-12-17-3-2-10-26-17)23-19(14)24(13)16-8-6-15(21)7-9-16;1-11-2-3-12-10-15(17(27)25-18-23-8-9-28-18)24-16(12)26(11)14-6-4-13(5-7-14)19(20,21)22;1-9-3-2-4-11(7-9)17-13(18)6-5-10-8-12(15(19)20)16-14(10)17/h2-17,30H,1H2,(H,29,32);2-13,25H,1,14H2,(H,24,27);4-9,11,17,23H,1-3,10,12H2,(H,22,25);2-10,24H,1H2,(H,23,25,27);2-8,16H,1H3,(H,19,20)
InChIKeyZNLNJJJYLCHDIY-UHFFFAOYSA-N
XLogP24.67
TPSA298.96 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001870.31
LogP ≤ 524.67
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze N-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of N-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 162168437) is N-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for N-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for N-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is C=C1C=Cc2cc(C(=O)NCC3CCCO3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)NCc3ccccc3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)Nc3nccs3)[nH]c2N1c1ccc(C(F)(F)F)cc1.Cc1cccc(-n2c(=O)ccc3cc(C(=O)O)[nH]c32)c1.
What is the InChIKey of N-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is ZNLNJJJYLCHDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O2.C22H18ClN3O.C20H20ClN3O2.C19H13F3N4OS.C15H12N2O3/c1-18-10-11-19-16-25(30-26(19)31(18)22-14-12-20(28)13-15-22)27(32)29-21-6-5-9-24(17-21)33-23-7-3-2-4-8-23;1-15-7-8-17-13-20(22(27)24-14-16-5-3-2-4-6-16)25-21(17)26(15)19-11-9-18(23)10-12-19;1-13-4-5-14-11-18(20(25)22-12-17-3-2-10-26-17)23-19(14)24(13)16-8-6-15(21)7-9-16;1-11-2-3-12-10-15(17(27)25-18-23-8-9-28-18)24-16(12)26(11)14-6-4-13(5-7-14)19(20,21)22;1-9-3-2-4-11(7-9)17-13(18)6-5-10-8-12(15(19)20)16-14(10)17/h2-17,30H,1H2,(H,29,32);2-13,25H,1,14H2,(H,24,27);4-9,11,17,23H,1-3,10,12H2,(H,22,25);2-10,24H,1H2,(H,23,25,27);2-8,16H,1H3,(H,19,20).
What are the key properties of N-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
N-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 1870.31 g/mol, XLogP of 24.67, 18 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(1,3-thiazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 162168437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).