6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide

C20H19F4N7O2 — CID 118206604

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide
SMILESCC(C)(O)C(F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NCC(F)(F)F
InChIInChI=1S/C20H19F4N7O2/c1-19(2,33)15(21)9-28-18(32)13-8-26-16(4-14(13)29-10-20(22,23)24)31-17-12(7-30-31)3-11(5-25)6-27-17/h3-4,6-8,15,33H,9-10H2,1-2H3,(H,26,29)(H,28,32)
InChIKeyGSPQMNLLHHKGRT-UHFFFAOYSA-N
MW465.41 g/mol
LogP2.50
Rot. Bonds7

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide (PubChem CID 118206604) has the molecular formula C20H19F4N7O2 and a molecular weight of 465.41 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide
PubChem CID118206604
Molecular FormulaC20H19F4N7O2
Molecular Weight465.41 g/mol
Exact Mass465.15
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide
SMILESCC(C)(O)C(F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NCC(F)(F)F
InChIInChI=1S/C20H19F4N7O2/c1-19(2,33)15(21)9-28-18(32)13-8-26-16(4-14(13)29-10-20(22,23)24)31-17-12(7-30-31)3-11(5-25)6-27-17/h3-4,6-8,15,33H,9-10H2,1-2H3,(H,26,29)(H,28,32)
InChIKeyGSPQMNLLHHKGRT-UHFFFAOYSA-N
XLogP2.50
TPSA128.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide (CID 118206604) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NCC(F)(F)F.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide?
The InChIKey is GSPQMNLLHHKGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N7O2/c1-19(2,33)15(21)9-28-18(32)13-8-26-16(4-14(13)29-10-20(22,23)24)31-17-12(7-30-31)3-11(5-25)6-27-17/h3-4,6-8,15,33H,9-10H2,1-2H3,(H,26,29)(H,28,32).
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide has a molecular weight of 465.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).