5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

C25H24F4N6OS — CID 168887804

IUPAC5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCN(C)c1nc2nc([C@@H]3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc(-c3ccc(C(F)(F)F)cc3F)c2s1
InChIInChI=1S/C25H24F4N6OS/c1-34(2)24-33-23-21(37-24)20(17-6-3-15(10-18(17)26)25(27,28)29)31-22(32-23)13-7-8-36-19(9-13)14-11-30-35(12-14)16-4-5-16/h3,6,10-13,16,19H,4-5,7-9H2,1-2H3/t13-,19-/m1/s1
InChIKeyWHHZKKSATNEQCU-BFUOFWGJSA-N
MW532.57 g/mol
LogP6.14
Rot. Bonds5

About 5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (PubChem CID 168887804) has the molecular formula C25H24F4N6OS and a molecular weight of 532.57 g/mol. Its IUPAC name is 5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
PubChem CID168887804
Molecular FormulaC25H24F4N6OS
Molecular Weight532.57 g/mol
Exact Mass532.17
IUPAC Name5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCN(C)c1nc2nc([C@@H]3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc(-c3ccc(C(F)(F)F)cc3F)c2s1
InChIInChI=1S/C25H24F4N6OS/c1-34(2)24-33-23-21(37-24)20(17-6-3-15(10-18(17)26)25(27,28)29)31-22(32-23)13-7-8-36-19(9-13)14-11-30-35(12-14)16-4-5-16/h3,6,10-13,16,19H,4-5,7-9H2,1-2H3/t13-,19-/m1/s1
InChIKeyWHHZKKSATNEQCU-BFUOFWGJSA-N
XLogP6.14
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.57
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine 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 5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The IUPAC name of 5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (CID 168887804) is 5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.
What is the SMILES notation for 5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The canonical SMILES for 5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is CN(C)c1nc2nc([C@@H]3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc(-c3ccc(C(F)(F)F)cc3F)c2s1.
What is the InChIKey of 5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The InChIKey is WHHZKKSATNEQCU-BFUOFWGJSA-N. The full InChI is InChI=1S/C25H24F4N6OS/c1-34(2)24-33-23-21(37-24)20(17-6-3-15(10-18(17)26)25(27,28)29)31-22(32-23)13-7-8-36-19(9-13)14-11-30-35(12-14)16-4-5-16/h3,6,10-13,16,19H,4-5,7-9H2,1-2H3/t13-,19-/m1/s1.
What are the key properties of 5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine has a molecular weight of 532.57 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 168887804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).