(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C26H24FN5O4 — CID 167557284

About (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167557284) has the molecular formula C26H24FN5O4 and a molecular weight of 489.51 g/mol. Its IUPAC name is (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167557284
• Molecular Formula: C26H24FN5O4
• Molecular Weight: 489.51 g/mol
• Exact Mass: 489.18
• IUPAC Name: (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: C[C@](O)(CNC(=O)c1cc2cccnc2[nH]1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O
• InChI: InChI=1S/C26H24FN5O4/c1-25(24(28)34)13-36-21-17(25)11-19(32-20(21)14-5-7-16(27)8-6-14)26(2,35)12-30-23(33)18-10-15-4-3-9-29-22(15)31-18/h3-11,35H,12-13H2,1-2H3,(H2,28,34)(H,29,31)(H,30,33)/t25-,26-/m0/s1
• InChIKey: DJDDFZPITPLAOK-UIOOFZCWSA-N
• XLogP: 2.54
• TPSA: 143.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.51
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167557284) is (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@](O)(CNC(=O)c1cc2cccnc2[nH]1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O.

What is the InChIKey of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is DJDDFZPITPLAOK-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H24FN5O4/c1-25(24(28)34)13-36-21-17(25)11-19(32-20(21)14-5-7-16(27)8-6-14)26(2,35)12-30-23(33)18-10-15-4-3-9-29-22(15)31-18/h3-11,35H,12-13H2,1-2H3,(H2,28,34)(H,29,31)(H,30,33)/t25-,26-/m0/s1.

What are the key properties of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 2.54, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167557284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).