7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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

C94H87Cl3F3N17O8S — CID 159374554

About 7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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

7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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 159374554) has the molecular formula C94H87Cl3F3N17O8S and a molecular weight of 1778.26 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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 Name: 7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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: 159374554
• Molecular Formula: C94H87Cl3F3N17O8S
• Molecular Weight: 1778.26 g/mol
• Exact Mass: 1775.57
• IUPAC Name: 7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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
• SMILES: C=C1C=Cc2cc(C(=O)N3CCNCC3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)NCC3CCCO3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)NCCN3CCCC3)[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
• InChI: InChI=1S/C21H23ClN4O.C20H20ClN3O2.C19H19ClN4O.C19H13F3N4OS.C15H12N2O3/c1-15-4-5-16-14-19(21(27)23-10-13-25-11-2-3-12-25)24-20(16)26(15)18-8-6-17(22)7-9-18;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;1-13-2-3-14-12-17(19(25)23-10-8-21-9-11-23)22-18(14)24(13)16-6-4-15(20)5-7-16;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/h4-9,14,24H,1-3,10-13H2,(H,23,27);4-9,11,17,23H,1-3,10,12H2,(H,22,25);2-7,12,21-22H,1,8-11H2;2-10,24H,1H2,(H,23,25,27);2-8,16H,1H3,(H,19,20)
• InChIKey: LKDKNFPGQVIHRX-UHFFFAOYSA-N
• XLogP: 19.57
• TPSA: 296.21 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1778.26
LogP ≤ 5	19.57
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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 7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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 159374554) is 7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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 7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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 7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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)N3CCNCC3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)NCC3CCCO3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)NCCN3CCCC3)[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 7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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 LKDKNFPGQVIHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O.C20H20ClN3O2.C19H19ClN4O.C19H13F3N4OS.C15H12N2O3/c1-15-4-5-16-14-19(21(27)23-10-13-25-11-2-3-12-25)24-20(16)26(15)18-8-6-17(22)7-9-18;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;1-13-2-3-14-12-17(19(25)23-10-8-21-9-11-23)22-18(14)24(13)16-6-4-15(20)5-7-16;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/h4-9,14,24H,1-3,10-13H2,(H,23,27);4-9,11,17,23H,1-3,10,12H2,(H,22,25);2-7,12,21-22H,1,8-11H2;2-10,24H,1H2,(H,23,25,27);2-8,16H,1H3,(H,19,20).

What are the key properties of 7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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?

7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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 1778.26 g/mol, XLogP of 19.57, 16 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-chlorophenyl)-6-methylidene-N-(oxolan-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone;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 159374554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).