6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide

C23H26FN7O3 — CID 118206755

IUPAC6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2cnc3cc(C#N)cnc32)cc1NC1CCOCC1
InChIInChI=1S/C23H26FN7O3/c1-23(2,33)19(24)12-28-22(32)16-11-26-20(8-17(16)30-15-3-5-34-6-4-15)31-13-29-18-7-14(9-25)10-27-21(18)31/h7-8,10-11,13,15,19,33H,3-6,12H2,1-2H3,(H,26,30)(H,28,32)/t19-/m1/s1
InChIKeyIODDMZNGSTYTSY-LJQANCHMSA-N
MW467.51 g/mol
LogP2.12
Rot. Bonds7

About 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide

6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide (PubChem CID 118206755) has the molecular formula C23H26FN7O3 and a molecular weight of 467.51 g/mol. Its IUPAC name is 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide
PubChem CID118206755
Molecular FormulaC23H26FN7O3
Molecular Weight467.51 g/mol
Exact Mass467.21
IUPAC Name6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2cnc3cc(C#N)cnc32)cc1NC1CCOCC1
InChIInChI=1S/C23H26FN7O3/c1-23(2,33)19(24)12-28-22(32)16-11-26-20(8-17(16)30-15-3-5-34-6-4-15)31-13-29-18-7-14(9-25)10-27-21(18)31/h7-8,10-11,13,15,19,33H,3-6,12H2,1-2H3,(H,26,30)(H,28,32)/t19-/m1/s1
InChIKeyIODDMZNGSTYTSY-LJQANCHMSA-N
XLogP2.12
TPSA137.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide (CID 118206755) is 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2cnc3cc(C#N)cnc32)cc1NC1CCOCC1.
What is the InChIKey of 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide?
The InChIKey is IODDMZNGSTYTSY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26FN7O3/c1-23(2,33)19(24)12-28-22(32)16-11-26-20(8-17(16)30-15-3-5-34-6-4-15)31-13-29-18-7-14(9-25)10-27-21(18)31/h7-8,10-11,13,15,19,33H,3-6,12H2,1-2H3,(H,26,30)(H,28,32)/t19-/m1/s1.
What are the key properties of 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide?
6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide has a molecular weight of 467.51 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).