2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine

C26H23F4N5OS — CID 168887930

About 2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine

2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine (PubChem CID 168887930) has the molecular formula C26H23F4N5OS and a molecular weight of 529.56 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine.

Molecular Properties

• Compound Name: 2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine
• PubChem CID: 168887930
• Molecular Formula: C26H23F4N5OS
• Molecular Weight: 529.56 g/mol
• Exact Mass: 529.16
• IUPAC Name: 2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine
• SMILES: Fc1cc(C(F)(F)F)ccc1-c1nc([C@@H]2CCO[C@@H](c3cnn(C4CC4)c3)C2)nc2nc(C3CC3)sc12
• InChI: InChI=1S/C26H23F4N5OS/c27-19-10-16(26(28,29)30)3-6-18(19)21-22-24(34-25(37-22)13-1-2-13)33-23(32-21)14-7-8-36-20(9-14)15-11-31-35(12-15)17-4-5-17/h3,6,10-14,17,20H,1-2,4-5,7-9H2/t14-,20-/m1/s1
• InChIKey: LXTUMOWNXFZFNF-JLTOFOAXSA-N
• XLogP: 6.96
• TPSA: 65.72 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.56
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine?

The IUPAC name of 2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine (CID 168887930) is 2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine.

What is the SMILES notation for 2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine?

The canonical SMILES for 2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine is Fc1cc(C(F)(F)F)ccc1-c1nc([C@@H]2CCO[C@@H](c3cnn(C4CC4)c3)C2)nc2nc(C3CC3)sc12.

What is the InChIKey of 2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine?

The InChIKey is LXTUMOWNXFZFNF-JLTOFOAXSA-N. The full InChI is InChI=1S/C26H23F4N5OS/c27-19-10-16(26(28,29)30)3-6-18(19)21-22-24(34-25(37-22)13-1-2-13)33-23(32-21)14-7-8-36-20(9-14)15-11-31-35(12-15)17-4-5-17/h3,6,10-14,17,20H,1-2,4-5,7-9H2/t14-,20-/m1/s1.

What are the key properties of 2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine?

2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine has a molecular weight of 529.56 g/mol, XLogP of 6.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 168887930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).