5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C16H10F5N7 — CID 90103165

IUPAC5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESFc1cccc(F)c1-c1nc(Nc2cnn(CC(F)(F)F)c2)c2[nH]ncc2n1
InChIInChI=1S/C16H10F5N7/c17-9-2-1-3-10(18)12(9)14-25-11-5-22-27-13(11)15(26-14)24-8-4-23-28(6-8)7-16(19,20)21/h1-6H,7H2,(H,22,27)(H,24,25,26)
InChIKeyGIXDHCGDFCOFOZ-UHFFFAOYSA-N
MW395.30 g/mol
LogP3.80
Rot. Bonds4

About 5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine

5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90103165) has the molecular formula C16H10F5N7 and a molecular weight of 395.30 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID90103165
Molecular FormulaC16H10F5N7
Molecular Weight395.30 g/mol
Exact Mass395.09
IUPAC Name5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESFc1cccc(F)c1-c1nc(Nc2cnn(CC(F)(F)F)c2)c2[nH]ncc2n1
InChIInChI=1S/C16H10F5N7/c17-9-2-1-3-10(18)12(9)14-25-11-5-22-27-13(11)15(26-14)24-8-4-23-28(6-8)7-16(19,20)21/h1-6H,7H2,(H,22,27)(H,24,25,26)
InChIKeyGIXDHCGDFCOFOZ-UHFFFAOYSA-N
XLogP3.80
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine with MolForge

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

Launch Full Analysis

Related Compounds

Avapritinib
CID 118023034
Adipiplon
CID 11198924
Pf-05180999
CID 60143346
Vactosertib
CID 54766013
Ly-2584702
CID 25118925
Ag-24322
CID 135413565
N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 42627755
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
US10399985, Example 8
CID 118278241
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
2-(1H-Pyrazol-5-yl)-1H-1,3-benzodiazole
CID 763936
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 90103165) is 5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine is Fc1cccc(F)c1-c1nc(Nc2cnn(CC(F)(F)F)c2)c2[nH]ncc2n1.
What is the InChIKey of 5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is GIXDHCGDFCOFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5N7/c17-9-2-1-3-10(18)12(9)14-25-11-5-22-27-13(11)15(26-14)24-8-4-23-28(6-8)7-16(19,20)21/h1-6H,7H2,(H,22,27)(H,24,25,26).
What are the key properties of 5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 395.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90103165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).