2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide

C18H14F3N7O2 — CID 155356698

IUPAC2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(NCC(F)(F)F)C(O)c1ccc(-n2cc(-c3ccnc4nc[nH]c34)cn2)nc1
InChIInChI=1S/C18H14F3N7O2/c19-18(20,21)8-24-17(30)15(29)10-1-2-13(23-5-10)28-7-11(6-27-28)12-3-4-22-16-14(12)25-9-26-16/h1-7,9,15,29H,8H2,(H,24,30)(H,22,25,26)
InChIKeyXLBKAUSHTBNGOF-UHFFFAOYSA-N
MW417.35 g/mol
LogP1.92
Rot. Bonds5

About 2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide

2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 155356698) has the molecular formula C18H14F3N7O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID155356698
Molecular FormulaC18H14F3N7O2
Molecular Weight417.35 g/mol
Exact Mass417.12
IUPAC Name2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(NCC(F)(F)F)C(O)c1ccc(-n2cc(-c3ccnc4nc[nH]c34)cn2)nc1
InChIInChI=1S/C18H14F3N7O2/c19-18(20,21)8-24-17(30)15(29)10-1-2-13(23-5-10)28-7-11(6-27-28)12-3-4-22-16-14(12)25-9-26-16/h1-7,9,15,29H,8H2,(H,24,30)(H,22,25,26)
InChIKeyXLBKAUSHTBNGOF-UHFFFAOYSA-N
XLogP1.92
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 155356698) is 2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(NCC(F)(F)F)C(O)c1ccc(-n2cc(-c3ccnc4nc[nH]c34)cn2)nc1.
What is the InChIKey of 2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XLBKAUSHTBNGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N7O2/c19-18(20,21)8-24-17(30)15(29)10-1-2-13(23-5-10)28-7-11(6-27-28)12-3-4-22-16-14(12)25-9-26-16/h1-7,9,15,29H,8H2,(H,24,30)(H,22,25,26).
What are the key properties of 2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 417.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 155356698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).