6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H24F3N5O3 — CID 134435626

IUPAC6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC(Oc4ccc(C(F)(F)F)cc4)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H24F3N5O3/c1-26(2,36)16-37-21-9-23(25-18(10-31)12-33-35(25)15-21)17-3-8-24(32-11-17)34-13-22(14-34)38-20-6-4-19(5-7-20)27(28,29)30/h3-9,11-12,15,22,36H,13-14,16H2,1-2H3
InChIKeyWQLHONFWNXXDLD-UHFFFAOYSA-N
MW523.52 g/mol
LogP4.70
Rot. Bonds7

About 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435626) has the molecular formula C27H24F3N5O3 and a molecular weight of 523.52 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435626
Molecular FormulaC27H24F3N5O3
Molecular Weight523.52 g/mol
Exact Mass523.18
IUPAC Name6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC(Oc4ccc(C(F)(F)F)cc4)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H24F3N5O3/c1-26(2,36)16-37-21-9-23(25-18(10-31)12-33-35(25)15-21)17-3-8-24(32-11-17)34-13-22(14-34)38-20-6-4-19(5-7-20)27(28,29)30/h3-9,11-12,15,22,36H,13-14,16H2,1-2H3
InChIKeyWQLHONFWNXXDLD-UHFFFAOYSA-N
XLogP4.70
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435626) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(N3CC(Oc4ccc(C(F)(F)F)cc4)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is WQLHONFWNXXDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O3/c1-26(2,36)16-37-21-9-23(25-18(10-31)12-33-35(25)15-21)17-3-8-24(32-11-17)34-13-22(14-34)38-20-6-4-19(5-7-20)27(28,29)30/h3-9,11-12,15,22,36H,13-14,16H2,1-2H3.
What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 523.52 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).