2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide

C52H46F3N9O4 — CID 160966160

About 2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide

2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide (PubChem CID 160966160) has the molecular formula C52H46F3N9O4 and a molecular weight of 917.99 g/mol. Its IUPAC name is 2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
• PubChem CID: 160966160
• Molecular Formula: C52H46F3N9O4
• Molecular Weight: 917.99 g/mol
• Exact Mass: 917.36
• IUPAC Name: 2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
• SMILES: CCc1c(-c2cncc(C(O)C(=O)N(C)C)c2)cnc2[nH]cc(-c3ccc4c(c3)C=CC4)c12.CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2C(F)(F)F)c1
• InChI: InChI=1S/C27H26N4O2.C25H20F3N5O2/c1-4-21-22(19-11-20(13-28-12-19)25(32)27(33)31(2)3)14-29-26-24(21)23(15-30-26)18-9-8-16-6-5-7-17(16)10-18;1-33(2)24(35)22(34)16-8-15(9-29-10-16)18-12-32-23-20(21(18)25(26,27)28)17(11-31-23)13-3-4-19-14(7-13)5-6-30-19/h5,7-15,25,32H,4,6H2,1-3H3,(H,29,30);3-12,22,30,34H,1-2H3,(H,31,32)
• InChIKey: SXQQFNUQLMQJKI-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 180.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.99
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?

The IUPAC name of 2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide (CID 160966160) is 2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide is CCc1c(-c2cncc(C(O)C(=O)N(C)C)c2)cnc2[nH]cc(-c3ccc4c(c3)C=CC4)c12.CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2C(F)(F)F)c1.

What is the InChIKey of 2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?

The InChIKey is SXQQFNUQLMQJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2.C25H20F3N5O2/c1-4-21-22(19-11-20(13-28-12-19)25(32)27(33)31(2)3)14-29-26-24(21)23(15-30-26)18-9-8-16-6-5-7-17(16)10-18;1-33(2)24(35)22(34)16-8-15(9-29-10-16)18-12-32-23-20(21(18)25(26,27)28)17(11-31-23)13-3-4-19-14(7-13)5-6-30-19/h5,7-15,25,32H,4,6H2,1-3H3,(H,29,30);3-12,22,30,34H,1-2H3,(H,31,32).

What are the key properties of 2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?

2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide has a molecular weight of 917.99 g/mol, XLogP of 9.46, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-ethyl-3-(1H-inden-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(1H-indol-5-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 160966160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).