2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile

C19H16F3N9S — CID 144669259

IUPAC2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESN#CCC1(n2cc(-c3nc(Nc4cnn(CC(F)(F)F)c4)nc4ccsc34)cn2)CNC1
InChIInChI=1S/C19H16F3N9S/c20-19(21,22)11-30-8-13(6-25-30)27-17-28-14-1-4-32-16(14)15(29-17)12-5-26-31(7-12)18(2-3-23)9-24-10-18/h1,4-8,24H,2,9-11H2,(H,27,28,29)
InChIKeyHBNYAPUWLYPNDL-UHFFFAOYSA-N
MW459.46 g/mol
LogP3.27
Rot. Bonds6

About 2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile

2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 144669259) has the molecular formula C19H16F3N9S and a molecular weight of 459.46 g/mol. Its IUPAC name is 2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
PubChem CID144669259
Molecular FormulaC19H16F3N9S
Molecular Weight459.46 g/mol
Exact Mass459.12
IUPAC Name2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESN#CCC1(n2cc(-c3nc(Nc4cnn(CC(F)(F)F)c4)nc4ccsc34)cn2)CNC1
InChIInChI=1S/C19H16F3N9S/c20-19(21,22)11-30-8-13(6-25-30)27-17-28-14-1-4-32-16(14)15(29-17)12-5-26-31(7-12)18(2-3-23)9-24-10-18/h1,4-8,24H,2,9-11H2,(H,27,28,29)
InChIKeyHBNYAPUWLYPNDL-UHFFFAOYSA-N
XLogP3.27
TPSA109.27 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile 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

4-(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2998031
8-methyl-N-(1-methylpyrazol-4-yl)-9-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 68059465
3-[4-(4-Thiophen-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]propanenitrile
CID 164620163
4-[4-[4-(5-Methylthiophen-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]butanenitrile
CID 164621087
US9999619, Example 179
CID 67390797
(S)-3-Phenyl-N*1*-(7-pyrazol-1-yl-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl)-propane-1,2-diamine
CID 89596535
7-methyl-6-(2-methylpyrazol-3-yl)-2-pyridin-4-yl-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 89596359
2-[3-[4-(4-Thiophen-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile
CID 164615080
5-[4-[4-(5-Methylthiophen-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]pentanenitrile
CID 164619781
4-(5-Methylthiophen-2-yl)-3-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 164620088
N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-1-(prop-2-en-1-yl)-1H-benzimidazol-2-amine
CID 16488543
US20250144094, Example 123
CID 168888625

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (CID 144669259) is 2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is N#CCC1(n2cc(-c3nc(Nc4cnn(CC(F)(F)F)c4)nc4ccsc34)cn2)CNC1.
What is the InChIKey of 2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is HBNYAPUWLYPNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N9S/c20-19(21,22)11-30-8-13(6-25-30)27-17-28-14-1-4-32-16(14)15(29-17)12-5-26-31(7-12)18(2-3-23)9-24-10-18/h1,4-8,24H,2,9-11H2,(H,27,28,29).
What are the key properties of 2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 459.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 144669259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).