7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine

C28H26F3N5O — CID 164881161

IUPAC7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOC(c1ccc(-c2nc(C(F)(F)F)cn2C)cc1)c1c[nH]c2cnc(-c3ccccc3C(C)C)nc12
InChIInChI=1S/C28H26F3N5O/c1-16(2)19-7-5-6-8-20(19)26-33-14-22-24(35-26)21(13-32-22)25(37-4)17-9-11-18(12-10-17)27-34-23(15-36(27)3)28(29,30)31/h5-16,25,32H,1-4H3
InChIKeyYDFHOVGHWPHDSL-UHFFFAOYSA-N
MW505.54 g/mol
LogP6.90
Rot. Bonds6

About 7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine

7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 164881161) has the molecular formula C28H26F3N5O and a molecular weight of 505.54 g/mol. Its IUPAC name is 7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID164881161
Molecular FormulaC28H26F3N5O
Molecular Weight505.54 g/mol
Exact Mass505.21
IUPAC Name7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOC(c1ccc(-c2nc(C(F)(F)F)cn2C)cc1)c1c[nH]c2cnc(-c3ccccc3C(C)C)nc12
InChIInChI=1S/C28H26F3N5O/c1-16(2)19-7-5-6-8-20(19)26-33-14-22-24(35-26)21(13-32-22)25(37-4)17-9-11-18(12-10-17)27-34-23(15-36(27)3)28(29,30)31/h5-16,25,32H,1-4H3
InChIKeyYDFHOVGHWPHDSL-UHFFFAOYSA-N
XLogP6.90
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.54
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-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 7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine (CID 164881161) is 7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine is COC(c1ccc(-c2nc(C(F)(F)F)cn2C)cc1)c1c[nH]c2cnc(-c3ccccc3C(C)C)nc12.
What is the InChIKey of 7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is YDFHOVGHWPHDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N5O/c1-16(2)19-7-5-6-8-20(19)26-33-14-22-24(35-26)21(13-32-22)25(37-4)17-9-11-18(12-10-17)27-34-23(15-36(27)3)28(29,30)31/h5-16,25,32H,1-4H3.
What are the key properties of 7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine?
7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 505.54 g/mol, XLogP of 6.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[methoxy-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 164881161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).