2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile

C24H21F3N6 — CID 86344712

IUPAC2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile
SMILESCN(C)CCn1nc(-c2ccccc2)c2c(C(F)(F)F)cc(-c3ccc(N)c(C#N)c3)nc21
InChIInChI=1S/C24H21F3N6/c1-32(2)10-11-33-23-21(22(31-33)15-6-4-3-5-7-15)18(24(25,26)27)13-20(30-23)16-8-9-19(29)17(12-16)14-28/h3-9,12-13H,10-11,29H2,1-2H3
InChIKeyGMKXEDORCMRUFI-UHFFFAOYSA-N
MW450.47 g/mol
LogP4.80
Rot. Bonds5

About 2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile

2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile (PubChem CID 86344712) has the molecular formula C24H21F3N6 and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile
PubChem CID86344712
Molecular FormulaC24H21F3N6
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile
SMILESCN(C)CCn1nc(-c2ccccc2)c2c(C(F)(F)F)cc(-c3ccc(N)c(C#N)c3)nc21
InChIInChI=1S/C24H21F3N6/c1-32(2)10-11-33-23-21(22(31-33)15-6-4-3-5-7-15)18(24(25,26)27)13-20(30-23)16-8-9-19(29)17(12-16)14-28/h3-9,12-13H,10-11,29H2,1-2H3
InChIKeyGMKXEDORCMRUFI-UHFFFAOYSA-N
XLogP4.80
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile 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 2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile?
The IUPAC name of 2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile (CID 86344712) is 2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile?
The canonical SMILES for 2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile is CN(C)CCn1nc(-c2ccccc2)c2c(C(F)(F)F)cc(-c3ccc(N)c(C#N)c3)nc21.
What is the InChIKey of 2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile?
The InChIKey is GMKXEDORCMRUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6/c1-32(2)10-11-33-23-21(22(31-33)15-6-4-3-5-7-15)18(24(25,26)27)13-20(30-23)16-8-9-19(29)17(12-16)14-28/h3-9,12-13H,10-11,29H2,1-2H3.
What are the key properties of 2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile?
2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile has a molecular weight of 450.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-[2-(dimethylamino)ethyl]-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 86344712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).