N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C97H86ClF6N13O10 — CID 157444474

About N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 157444474) has the molecular formula C97H86ClF6N13O10 and a molecular weight of 1743.28 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 157444474
• Molecular Formula: C97H86ClF6N13O10
• Molecular Weight: 1743.28 g/mol
• Exact Mass: 1741.62
• IUPAC Name: N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: C=C1C=Cc2cc(C(=O)NCC3CCCO3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)NCc3ccncc3)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Cl)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(OC(C)C)cc1
• InChI: InChI=1S/C30H27N3O3.C24H24N4O2.C22H15ClF3N3O2.C21H20F3N3O3/c1-20(2)35-26-16-14-24(15-17-26)33-21(3)12-13-22-18-28(32-29(22)33)30(34)31-23-8-7-11-27(19-23)36-25-9-5-4-6-10-25;1-16(2)30-21-8-6-20(7-9-21)28-17(3)4-5-19-14-22(27-23(19)28)24(29)26-15-18-10-12-25-13-11-18;1-13-5-6-14-11-19(21(30)27-16-4-2-3-15(23)12-16)28-20(14)29(13)17-7-9-18(10-8-17)31-22(24,25)26;1-13-4-5-14-11-18(20(28)25-12-17-3-2-10-29-17)26-19(14)27(13)15-6-8-16(9-7-15)30-21(22,23)24/h4-20,32H,3H2,1-2H3,(H,31,34);4-14,16,27H,3,15H2,1-2H3,(H,26,29);2-12,28H,1H2,(H,27,30);4-9,11,17,26H,1-3,10,12H2,(H,25,28)
• InChIKey: BSBCAOFWXIHPAU-UHFFFAOYSA-N
• XLogP: 23.33
• TPSA: 260.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1743.28
LogP ≤ 5	23.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 157444474) is N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)NCC3CCCO3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)NCc3ccncc3)[nH]c2N1c1ccc(OC(C)C)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Cl)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(OC(C)C)cc1.

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

The InChIKey is BSBCAOFWXIHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3.C24H24N4O2.C22H15ClF3N3O2.C21H20F3N3O3/c1-20(2)35-26-16-14-24(15-17-26)33-21(3)12-13-22-18-28(32-29(22)33)30(34)31-23-8-7-11-27(19-23)36-25-9-5-4-6-10-25;1-16(2)30-21-8-6-20(7-9-21)28-17(3)4-5-19-14-22(27-23(19)28)24(29)26-15-18-10-12-25-13-11-18;1-13-5-6-14-11-19(21(30)27-16-4-2-3-15(23)12-16)28-20(14)29(13)17-7-9-18(10-8-17)31-22(24,25)26;1-13-4-5-14-11-18(20(28)25-12-17-3-2-10-29-17)26-19(14)27(13)15-6-8-16(9-7-15)30-21(22,23)24/h4-20,32H,3H2,1-2H3,(H,31,34);4-14,16,27H,3,15H2,1-2H3,(H,26,29);2-12,28H,1H2,(H,27,30);4-9,11,17,26H,1-3,10,12H2,(H,25,28).

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

N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 1743.28 g/mol, XLogP of 23.33, 22 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(oxolan-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(3-phenoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 157444474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).