6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine

C23H18F3N7O — CID 151369918

IUPAC6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
SMILESCOc1cnccc1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1
InChIInChI=1S/C23H18F3N7O/c1-32-13-19(23(24,25)26)30-21(32)15-5-3-14(4-6-15)12-33-22-16(10-29-33)9-28-20(31-22)17-7-8-27-11-18(17)34-2/h3-11,13H,12H2,1-2H3
InChIKeyOQFIZSFHPDEKEF-UHFFFAOYSA-N
MW465.44 g/mol
LogP4.36
Rot. Bonds5

About 6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine

6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine (PubChem CID 151369918) has the molecular formula C23H18F3N7O and a molecular weight of 465.44 g/mol. Its IUPAC name is 6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
PubChem CID151369918
Molecular FormulaC23H18F3N7O
Molecular Weight465.44 g/mol
Exact Mass465.15
IUPAC Name6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
SMILESCOc1cnccc1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1
InChIInChI=1S/C23H18F3N7O/c1-32-13-19(23(24,25)26)30-21(32)15-5-3-14(4-6-15)12-33-22-16(10-29-33)9-28-20(31-22)17-7-8-27-11-18(17)34-2/h3-11,13H,12H2,1-2H3
InChIKeyOQFIZSFHPDEKEF-UHFFFAOYSA-N
XLogP4.36
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine (CID 151369918) is 6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine is COc1cnccc1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.
What is the InChIKey of 6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The InChIKey is OQFIZSFHPDEKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N7O/c1-32-13-19(23(24,25)26)30-21(32)15-5-3-14(4-6-15)12-33-22-16(10-29-33)9-28-20(31-22)17-7-8-27-11-18(17)34-2/h3-11,13H,12H2,1-2H3.
What are the key properties of 6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine has a molecular weight of 465.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-4-pyridinyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 151369918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).