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

C29H27ClF3N7O2 — CID 134436489

IUPAC4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC4CC(C3)N4C(c3ccc(Cl)nc3)C(F)(F)F)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H27ClF3N7O2/c1-28(2,41)16-42-22-8-23(26-19(9-34)12-37-39(26)15-22)17-4-6-25(36-10-17)38-13-20-7-21(14-38)40(20)27(29(31,32)33)18-3-5-24(30)35-11-18/h3-6,8,10-12,15,20-21,27,41H,7,13-14,16H2,1-2H3
InChIKeyKYFHRIAAJMIQCZ-UHFFFAOYSA-N
MW598.03 g/mol
LogP5.03
Rot. Bonds7

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

4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436489) has the molecular formula C29H27ClF3N7O2 and a molecular weight of 598.03 g/mol. Its IUPAC name is 4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436489
Molecular FormulaC29H27ClF3N7O2
Molecular Weight598.03 g/mol
Exact Mass597.19
IUPAC Name4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC4CC(C3)N4C(c3ccc(Cl)nc3)C(F)(F)F)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H27ClF3N7O2/c1-28(2,41)16-42-22-8-23(26-19(9-34)12-37-39(26)15-22)17-4-6-25(36-10-17)38-13-20-7-21(14-38)40(20)27(29(31,32)33)18-3-5-24(30)35-11-18/h3-6,8,10-12,15,20-21,27,41H,7,13-14,16H2,1-2H3
InChIKeyKYFHRIAAJMIQCZ-UHFFFAOYSA-N
XLogP5.03
TPSA102.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.03
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)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 4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436489) is 4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(N3CC4CC(C3)N4C(c3ccc(Cl)nc3)C(F)(F)F)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is KYFHRIAAJMIQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClF3N7O2/c1-28(2,41)16-42-22-8-23(26-19(9-34)12-37-39(26)15-22)17-4-6-25(36-10-17)38-13-20-7-21(14-38)40(20)27(29(31,32)33)18-3-5-24(30)35-11-18/h3-6,8,10-12,15,20-21,27,41H,7,13-14,16H2,1-2H3.
What are the key properties of 4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 598.03 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).