6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C24H25F3N6O4S — CID 134436829

IUPAC6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC4CC(C3)N4S(=O)(=O)CC(F)(F)F)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H25F3N6O4S/c1-23(2,34)13-37-19-6-20(22-16(7-28)9-30-32(22)12-19)15-3-4-21(29-8-15)31-10-17-5-18(11-31)33(17)38(35,36)14-24(25,26)27/h3-4,6,8-9,12,17-18,34H,5,10-11,13-14H2,1-2H3
InChIKeyWMKSQRQCCIJCNO-UHFFFAOYSA-N
MW550.56 g/mol
LogP2.57
Rot. Bonds7

About 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436829) has the molecular formula C24H25F3N6O4S and a molecular weight of 550.56 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436829
Molecular FormulaC24H25F3N6O4S
Molecular Weight550.56 g/mol
Exact Mass550.16
IUPAC Name6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC4CC(C3)N4S(=O)(=O)CC(F)(F)F)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H25F3N6O4S/c1-23(2,34)13-37-19-6-20(22-16(7-28)9-30-32(22)12-19)15-3-4-21(29-8-15)31-10-17-5-18(11-31)33(17)38(35,36)14-24(25,26)27/h3-4,6,8-9,12,17-18,34H,5,10-11,13-14H2,1-2H3
InChIKeyWMKSQRQCCIJCNO-UHFFFAOYSA-N
XLogP2.57
TPSA124.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.56
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436829) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(N3CC4CC(C3)N4S(=O)(=O)CC(F)(F)F)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is WMKSQRQCCIJCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O4S/c1-23(2,34)13-37-19-6-20(22-16(7-28)9-30-32(22)12-19)15-3-4-21(29-8-15)31-10-17-5-18(11-31)33(17)38(35,36)14-24(25,26)27/h3-4,6,8-9,12,17-18,34H,5,10-11,13-14H2,1-2H3.
What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 550.56 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(2,2,2-trifluoroethylsulfonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).