6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine

C27H25F3N8O — CID 151175886

IUPAC6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc([C@@H](C)n2ncc3cnc(-c4c(OC)ncnc4C4CC4)nc32)cc1
InChIInChI=1S/C27H25F3N8O/c1-4-37-13-20(27(28,29)30)35-24(37)18-9-5-16(6-10-18)15(2)38-25-19(12-34-38)11-31-23(36-25)21-22(17-7-8-17)32-14-33-26(21)39-3/h5-6,9-15,17H,4,7-8H2,1-3H3/t15-/m1/s1
InChIKeyNDGGFKQIJMZBQX-OAHLLOKOSA-N
MW534.55 g/mol
LogP5.68
Rot. Bonds7

About 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine

6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine (PubChem CID 151175886) has the molecular formula C27H25F3N8O and a molecular weight of 534.55 g/mol. Its IUPAC name is 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine
PubChem CID151175886
Molecular FormulaC27H25F3N8O
Molecular Weight534.55 g/mol
Exact Mass534.21
IUPAC Name6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc([C@@H](C)n2ncc3cnc(-c4c(OC)ncnc4C4CC4)nc32)cc1
InChIInChI=1S/C27H25F3N8O/c1-4-37-13-20(27(28,29)30)35-24(37)18-9-5-16(6-10-18)15(2)38-25-19(12-34-38)11-31-23(36-25)21-22(17-7-8-17)32-14-33-26(21)39-3/h5-6,9-15,17H,4,7-8H2,1-3H3/t15-/m1/s1
InChIKeyNDGGFKQIJMZBQX-OAHLLOKOSA-N
XLogP5.68
TPSA96.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.55
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine 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 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine (CID 151175886) is 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine is CCn1cc(C(F)(F)F)nc1-c1ccc([C@@H](C)n2ncc3cnc(-c4c(OC)ncnc4C4CC4)nc32)cc1.
What is the InChIKey of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine?
The InChIKey is NDGGFKQIJMZBQX-OAHLLOKOSA-N. The full InChI is InChI=1S/C27H25F3N8O/c1-4-37-13-20(27(28,29)30)35-24(37)18-9-5-16(6-10-18)15(2)38-25-19(12-34-38)11-31-23(36-25)21-22(17-7-8-17)32-14-33-26(21)39-3/h5-6,9-15,17H,4,7-8H2,1-3H3/t15-/m1/s1.
What are the key properties of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine?
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine has a molecular weight of 534.55 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 151175886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).