7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C107H104F2N20O4 — CID 159800699

IUPAC7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1c(F)cccc1-c1ncc2c(n1)N(Cc1ccc(-c3cn(C)cn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N([C@@H](C)c1ccc(-c3nccn3C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N([C@H](C)c1ccc(-c3nccn3C)cc1)C(=O)C2.Cc1cn(C)c(-c2ccc(CN3C(=O)Cc4cnc(-c5cccc(F)c5C(C)C)nc43)cc2)n1
InChIInChI=1S/C27H26FN5O.2C27H27N5O.C26H24FN5O/c1-16(2)24-21(6-5-7-22(24)28)25-29-13-20-12-23(34)33(27(20)31-25)15-18-8-10-19(11-9-18)26-30-17(3)14-32(26)4;2*1-17(2)22-7-5-6-8-23(22)25-29-16-21-15-24(33)32(27(21)30-25)18(3)19-9-11-20(12-10-19)26-28-13-14-31(26)4;1-16(2)24-20(5-4-6-21(24)27)25-28-12-19-11-23(33)32(26(19)30-25)13-17-7-9-18(10-8-17)22-14-31(3)15-29-22/h5-11,13-14,16H,12,15H2,1-4H3;2*5-14,16-18H,15H2,1-4H3;4-10,12,14-16H,11,13H2,1-3H3/t;2*18-;/m.10./s1
InChIKeyNJTCAQDTPSUWLU-UYQUUODHSA-N
MW1772.14 g/mol
LogP20.74
Rot. Bonds20

About 7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 159800699) has the molecular formula C107H104F2N20O4 and a molecular weight of 1772.14 g/mol. Its IUPAC name is 7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID159800699
Molecular FormulaC107H104F2N20O4
Molecular Weight1772.14 g/mol
Exact Mass1770.85
IUPAC Name7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1c(F)cccc1-c1ncc2c(n1)N(Cc1ccc(-c3cn(C)cn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N([C@@H](C)c1ccc(-c3nccn3C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N([C@H](C)c1ccc(-c3nccn3C)cc1)C(=O)C2.Cc1cn(C)c(-c2ccc(CN3C(=O)Cc4cnc(-c5cccc(F)c5C(C)C)nc43)cc2)n1
InChIInChI=1S/C27H26FN5O.2C27H27N5O.C26H24FN5O/c1-16(2)24-21(6-5-7-22(24)28)25-29-13-20-12-23(34)33(27(20)31-25)15-18-8-10-19(11-9-18)26-30-17(3)14-32(26)4;2*1-17(2)22-7-5-6-8-23(22)25-29-16-21-15-24(33)32(27(21)30-25)18(3)19-9-11-20(12-10-19)26-28-13-14-31(26)4;1-16(2)24-20(5-4-6-21(24)27)25-28-12-19-11-23(33)32(26(19)30-25)13-17-7-9-18(10-8-17)22-14-31(3)15-29-22/h5-11,13-14,16H,12,15H2,1-4H3;2*5-14,16-18H,15H2,1-4H3;4-10,12,14-16H,11,13H2,1-3H3/t;2*18-;/m.10./s1
InChIKeyNJTCAQDTPSUWLU-UYQUUODHSA-N
XLogP20.74
TPSA255.64 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001772.14
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157488039
7-[[4-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157663298
2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158773897
7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158773899
4-(dimethylamino)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158920150
7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159527956
7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159527957
7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160479652
7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158016717
7-[[4-[1-methyl-5-(1-methylpiperidin-4-yl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158547040
7-[[4-[1-methyl-4-(1-methylpiperidin-4-yl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158547041
7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158773900

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 159800699) is 7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1c(F)cccc1-c1ncc2c(n1)N(Cc1ccc(-c3cn(C)cn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N([C@@H](C)c1ccc(-c3nccn3C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N([C@H](C)c1ccc(-c3nccn3C)cc1)C(=O)C2.Cc1cn(C)c(-c2ccc(CN3C(=O)Cc4cnc(-c5cccc(F)c5C(C)C)nc43)cc2)n1.
What is the InChIKey of 7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is NJTCAQDTPSUWLU-UYQUUODHSA-N. The full InChI is InChI=1S/C27H26FN5O.2C27H27N5O.C26H24FN5O/c1-16(2)24-21(6-5-7-22(24)28)25-29-13-20-12-23(34)33(27(20)31-25)15-18-8-10-19(11-9-18)26-30-17(3)14-32(26)4;2*1-17(2)22-7-5-6-8-23(22)25-29-16-21-15-24(33)32(27(21)30-25)18(3)19-9-11-20(12-10-19)26-28-13-14-31(26)4;1-16(2)24-20(5-4-6-21(24)27)25-28-12-19-11-23(33)32(26(19)30-25)13-17-7-9-18(10-8-17)22-14-31(3)15-29-22/h5-11,13-14,16H,12,15H2,1-4H3;2*5-14,16-18H,15H2,1-4H3;4-10,12,14-16H,11,13H2,1-3H3/t;2*18-;/m.10./s1.
What are the key properties of 7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1772.14 g/mol, XLogP of 20.74, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-2-(3-fluoro-2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159800699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).