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6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide

C26H33FN6O3 — CID 118206694

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide
SMILESCC(C)CC(O)[C@H](C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C26H33FN6O3/c1-15(2)8-21(34)16(3)32-20-10-23(33-7-6-18-9-17(11-28)12-30-24(18)33)29-13-19(20)25(35)31-14-22(27)26(4,5)36/h6-7,9-10,12-13,15-16,21-22,34,36H,8,14H2,1-5H3,(H,29,32)(H,31,35)/t16-,21?,22+/m0/s1
InChIKeyGXSDTVUVVZPZDW-GWGYHSHPSA-N
MW496.59 g/mol
LogP3.34
Rot. Bonds10

About 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide (PubChem CID 118206694) has the molecular formula C26H33FN6O3 and a molecular weight of 496.59 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide
PubChem CID118206694
Molecular FormulaC26H33FN6O3
Molecular Weight496.59 g/mol
Exact Mass496.26
IUPAC Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide
SMILESCC(C)CC(O)[C@H](C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C26H33FN6O3/c1-15(2)8-21(34)16(3)32-20-10-23(33-7-6-18-9-17(11-28)12-30-24(18)33)29-13-19(20)25(35)31-14-22(27)26(4,5)36/h6-7,9-10,12-13,15-16,21-22,34,36H,8,14H2,1-5H3,(H,29,32)(H,31,35)/t16-,21?,22+/m0/s1
InChIKeyGXSDTVUVVZPZDW-GWGYHSHPSA-N
XLogP3.34
TPSA136.09 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide (CID 118206694) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide is CC(C)CC(O)[C@H](C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O.
What is the InChIKey of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide?
The InChIKey is GXSDTVUVVZPZDW-GWGYHSHPSA-N. The full InChI is InChI=1S/C26H33FN6O3/c1-15(2)8-21(34)16(3)32-20-10-23(33-7-6-18-9-17(11-28)12-30-24(18)33)29-13-19(20)25(35)31-14-22(27)26(4,5)36/h6-7,9-10,12-13,15-16,21-22,34,36H,8,14H2,1-5H3,(H,29,32)(H,31,35)/t16-,21?,22+/m0/s1.
What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide?
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 3.34, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118206694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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