6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

C28H27FN6 — CID 118413947

IUPAC6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccc(F)cc6)cc45)CC3)[nH]c2C)cc1
InChIInChI=1S/C28H27FN6/c1-17-3-5-20(6-4-17)25-18(2)32-26(34-25)21-11-13-35(14-12-21)28-23-15-24(33-27(23)30-16-31-28)19-7-9-22(29)10-8-19/h3-10,15-16,21H,11-14H2,1-2H3,(H,32,34)(H,30,31,33)
InChIKeyISAGRCYVGLOTOE-UHFFFAOYSA-N
MW466.56 g/mol
LogP6.15
Rot. Bonds4

About 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118413947) has the molecular formula C28H27FN6 and a molecular weight of 466.56 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID118413947
Molecular FormulaC28H27FN6
Molecular Weight466.56 g/mol
Exact Mass466.23
IUPAC Name6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccc(F)cc6)cc45)CC3)[nH]c2C)cc1
InChIInChI=1S/C28H27FN6/c1-17-3-5-20(6-4-17)25-18(2)32-26(34-25)21-11-13-35(14-12-21)28-23-15-24(33-27(23)30-16-31-28)19-7-9-22(29)10-8-19/h3-10,15-16,21H,11-14H2,1-2H3,(H,32,34)(H,30,31,33)
InChIKeyISAGRCYVGLOTOE-UHFFFAOYSA-N
XLogP6.15
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethynylphenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 130455480
4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413943
6-(4-fluorophenyl)-4-[4-[5-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118356342
4-[4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118413954
4-[4-[4-[4-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118413882
4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413894
4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 158454290
4-[4-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[(3E,5E)-6-methoxynona-1,3,5-trien-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 144915517
4-[4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118413987
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430797
4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-cyclopenta[d]pyrimidine
CID 149389142
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-methyl-4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413836

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 118413947) is 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is Cc1ccc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccc(F)cc6)cc45)CC3)[nH]c2C)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is ISAGRCYVGLOTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6/c1-17-3-5-20(6-4-17)25-18(2)32-26(34-25)21-11-13-35(14-12-21)28-23-15-24(33-27(23)30-16-31-28)19-7-9-22(29)10-8-19/h3-10,15-16,21H,11-14H2,1-2H3,(H,32,34)(H,30,31,33).
What are the key properties of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 466.56 g/mol, XLogP of 6.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118413947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).