potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide

C49H39F8KN10O5 — CID 160907970

About potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide

potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide (PubChem CID 160907970) has the molecular formula C49H39F8KN10O5 and a molecular weight of 1039.00 g/mol. Its IUPAC name is potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide.

Molecular Properties

• Compound Name: potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide
• PubChem CID: 160907970
• Molecular Formula: C49H39F8KN10O5
• Molecular Weight: 1039.00 g/mol
• Exact Mass: 1038.26
• IUPAC Name: potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide
• SMILES: CCC(N)=O.NC(=O)Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccnc21.OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1c[nH]c2ncccc12)C(F)(F)F.[K+].[OH-]
• InChI: InChI=1S/C24H17F4N5O2.C22H14F4N4O.C3H7NO.K.H2O/c25-16-4-6-17(7-5-16)33-20-8-3-15(10-14(20)11-31-33)23(35,24(26,27)28)19-12-32(13-21(29)34)22-18(19)2-1-9-30-22;23-15-4-6-16(7-5-15)30-19-8-3-14(10-13(19)11-29-30)21(31,22(24,25)26)18-12-28-20-17(18)2-1-9-27-20;1-2-3(4)5;;/h1-12,35H,13H2,(H2,29,34);1-12,31H,(H,27,28);2H2,1H3,(H2,4,5);;1H2/q;;;+1;/p-1
• InChIKey: SQJWLPKHTPBKCA-UHFFFAOYSA-M
• XLogP: 5.35
• TPSA: 238.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1039.00
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide?

The IUPAC name of potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide (CID 160907970) is potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide.

What is the SMILES notation for potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide?

The canonical SMILES for potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide is CCC(N)=O.NC(=O)Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccnc21.OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1c[nH]c2ncccc12)C(F)(F)F.[K+].[OH-].

What is the InChIKey of potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide?

The InChIKey is SQJWLPKHTPBKCA-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H17F4N5O2.C22H14F4N4O.C3H7NO.K.H2O/c25-16-4-6-17(7-5-16)33-20-8-3-15(10-14(20)11-31-33)23(35,24(26,27)28)19-12-32(13-21(29)34)22-18(19)2-1-9-30-22;23-15-4-6-16(7-5-15)30-19-8-3-14(10-13(19)11-29-30)21(31,22(24,25)26)18-12-28-20-17(18)2-1-9-27-20;1-2-3(4)5;;/h1-12,35H,13H2,(H2,29,34);1-12,31H,(H,27,28);2H2,1H3,(H2,4,5);;1H2/q;;;+1;/p-1.

What are the key properties of potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide?

potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide has a molecular weight of 1039.00 g/mol, XLogP of 5.35, 9 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide is sourced from PubChem (CID 160907970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).