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

C26H22F3N5O — CID 172838907

IUPAC2-(2-methoxyphenyl)-5-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine
SMILESCOc1ccccc1-c1ncc2c(n1)c(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)cn2C
InChIInChI=1S/C26H22F3N5O/c1-33-14-18(23-20(33)13-30-24(32-23)19-6-4-5-7-21(19)35-3)12-16-8-10-17(11-9-16)25-31-22(15-34(25)2)26(27,28)29/h4-11,13-15H,12H2,1-3H3
InChIKeyWNLWZTAFAGQWGF-UHFFFAOYSA-N
MW477.49 g/mol
LogP5.65
Rot. Bonds5

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

2-(2-methoxyphenyl)-5-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine (PubChem CID 172838907) has the molecular formula C26H22F3N5O and a molecular weight of 477.49 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine
PubChem CID172838907
Molecular FormulaC26H22F3N5O
Molecular Weight477.49 g/mol
Exact Mass477.18
IUPAC Name2-(2-methoxyphenyl)-5-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine
SMILESCOc1ccccc1-c1ncc2c(n1)c(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)cn2C
InChIInChI=1S/C26H22F3N5O/c1-33-14-18(23-20(33)13-30-24(32-23)19-6-4-5-7-21(19)35-3)12-16-8-10-17(11-9-16)25-31-22(15-34(25)2)26(27,28)29/h4-11,13-15H,12H2,1-3H3
InChIKeyWNLWZTAFAGQWGF-UHFFFAOYSA-N
XLogP5.65
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine
CID 172788999
7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(trifluoromethoxy)phenyl]purin-8-one
CID 129140170
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(4-methylphenyl)sulfonyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine
CID 164881268
2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 177377969
8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 171782524
7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]purin-8-imine
CID 170931850
N-methyl-2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzenesulfonamide
CID 135334101
7-methyl-2-(2-methyl-3-pyridinyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one
CID 129139846
2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine
CID 174189497
N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-phenylmethoxy-2-(2-propan-2-yl-3-pyridinyl)pyrimidin-4-amine
CID 165406225
2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
CID 164881407
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-(2-methoxyphenyl)-5-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine (CID 172838907) is 2-(2-methoxyphenyl)-5-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-(2-methoxyphenyl)-5-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine is COc1ccccc1-c1ncc2c(n1)c(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)cn2C.
What is the InChIKey of 2-(2-methoxyphenyl)-5-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine?
The InChIKey is WNLWZTAFAGQWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O/c1-33-14-18(23-20(33)13-30-24(32-23)19-6-4-5-7-21(19)35-3)12-16-8-10-17(11-9-16)25-31-22(15-34(25)2)26(27,28)29/h4-11,13-15H,12H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-5-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine?
2-(2-methoxyphenyl)-5-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine has a molecular weight of 477.49 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 172838907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).