7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C94H81F5N12O9 — CID 158066592

About 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 158066592) has the molecular formula C94H81F5N12O9 and a molecular weight of 1617.75 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 158066592
• Molecular Formula: C94H81F5N12O9
• Molecular Weight: 1617.75 g/mol
• Exact Mass: 1616.62
• IUPAC Name: 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: C=C1C=Cc2cc(C(=O)N3CCCC3)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(OC)c3)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(OC)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C30H27N3O3.C23H18F3N3O3.C22H18FN3O2.C19H18FN3O/c1-20(2)35-26-17-13-24(14-18-26)33-21(3)9-10-22-19-28(32-29(22)33)30(34)31-23-11-15-27(16-12-23)36-25-7-5-4-6-8-25;1-14-6-7-15-12-20(22(30)27-16-4-3-5-19(13-16)31-2)28-21(15)29(14)17-8-10-18(11-9-17)32-23(24,25)26;1-14-6-7-15-12-20(22(27)24-17-4-3-5-19(13-17)28-2)25-21(15)26(14)18-10-8-16(23)9-11-18;1-13-4-5-14-12-17(19(24)22-10-2-3-11-22)21-18(14)23(13)16-8-6-15(20)7-9-16/h4-20,32H,3H2,1-2H3,(H,31,34);3-13,28H,1H2,2H3,(H,27,30);3-13,25H,1H2,2H3,(H,24,27);4-9,12,21H,1-3,10-11H2
• InChIKey: FLHNLCRGKTXPEH-UHFFFAOYSA-N
• XLogP: 22.54
• TPSA: 229.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1617.75
LogP ≤ 5	22.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 158066592) is 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)N3CCCC3)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(OC)c3)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(OC)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.

What is the InChIKey of 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is FLHNLCRGKTXPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3.C23H18F3N3O3.C22H18FN3O2.C19H18FN3O/c1-20(2)35-26-17-13-24(14-18-26)33-21(3)9-10-22-19-28(32-29(22)33)30(34)31-23-11-15-27(16-12-23)36-25-7-5-4-6-8-25;1-14-6-7-15-12-20(22(30)27-16-4-3-5-19(13-16)31-2)28-21(15)29(14)17-8-10-18(11-9-17)32-23(24,25)26;1-14-6-7-15-12-20(22(27)24-17-4-3-5-19(13-17)28-2)25-21(15)26(14)18-10-8-16(23)9-11-18;1-13-4-5-14-12-17(19(24)22-10-2-3-11-22)21-18(14)23(13)16-8-6-15(20)7-9-16/h4-20,32H,3H2,1-2H3,(H,31,34);3-13,28H,1H2,2H3,(H,27,30);3-13,25H,1H2,2H3,(H,24,27);4-9,12,21H,1-3,10-11H2.

What are the key properties of 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 1617.75 g/mol, XLogP of 22.54, 18 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-fluorophenyl)-N-(3-methoxyphenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;N-(3-methoxyphenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 158066592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).