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

C22H24FN7O3 — CID 118206623

IUPAC6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2cnc3cc(C#N)cnc32)cc1N[C@@H]1CCOC1
InChIInChI=1S/C22H24FN7O3/c1-22(2,32)18(23)10-27-21(31)15-9-25-19(6-16(15)29-14-3-4-33-11-14)30-12-28-17-5-13(7-24)8-26-20(17)30/h5-6,8-9,12,14,18,32H,3-4,10-11H2,1-2H3,(H,25,29)(H,27,31)/t14-,18-/m1/s1
InChIKeyWRYUYIISGCJXNK-RDTXWAMCSA-N
MW453.48 g/mol
LogP1.73
Rot. Bonds7

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

6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxamide (PubChem CID 118206623) has the molecular formula C22H24FN7O3 and a molecular weight of 453.48 g/mol. Its IUPAC name is 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxamide
PubChem CID118206623
Molecular FormulaC22H24FN7O3
Molecular Weight453.48 g/mol
Exact Mass453.19
IUPAC Name6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2cnc3cc(C#N)cnc32)cc1N[C@@H]1CCOC1
InChIInChI=1S/C22H24FN7O3/c1-22(2,32)18(23)10-27-21(31)15-9-25-19(6-16(15)29-14-3-4-33-11-14)30-12-28-17-5-13(7-24)8-26-20(17)30/h5-6,8-9,12,14,18,32H,3-4,10-11H2,1-2H3,(H,25,29)(H,27,31)/t14-,18-/m1/s1
InChIKeyWRYUYIISGCJXNK-RDTXWAMCSA-N
XLogP1.73
TPSA137.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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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-[[(3R)-oxolan-3-yl]amino]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-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxamide (CID 118206623) is 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-oxolan-3-yl]amino]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-[[(3R)-oxolan-3-yl]amino]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-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2cnc3cc(C#N)cnc32)cc1N[C@@H]1CCOC1.
What is the InChIKey of 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is WRYUYIISGCJXNK-RDTXWAMCSA-N. The full InChI is InChI=1S/C22H24FN7O3/c1-22(2,32)18(23)10-27-21(31)15-9-25-19(6-16(15)29-14-3-4-33-11-14)30-12-28-17-5-13(7-24)8-26-20(17)30/h5-6,8-9,12,14,18,32H,3-4,10-11H2,1-2H3,(H,25,29)(H,27,31)/t14-,18-/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-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxamide?
6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 453.48 g/mol, XLogP of 1.73, 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-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118206623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).