2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane

C81H69F9N18O8 — CID 158619529

IUPAC2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane
SMILESC1CCOC1.CCC(=O)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.COC(=O)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.Cn1cc(C(F)(F)F)nc1-c1ccc(Cn2c(=O)[nH]c3cnc(-c4ccccc4C4(O)CC4)nc32)cc1
InChIInChI=1S/2C26H21F3N6O2.C25H19F3N6O3.C4H8O/c1-34-14-20(26(27,28)29)32-22(34)16-8-6-15(7-9-16)13-35-23-19(31-24(35)36)12-30-21(33-23)17-4-2-3-5-18(17)25(37)10-11-25;1-3-20(36)17-6-4-5-7-18(17)22-30-12-19-24(33-22)35(25(37)31-19)13-15-8-10-16(11-9-15)23-32-21(14-34(23)2)26(27,28)29;1-33-13-19(25(26,27)28)31-21(33)15-9-7-14(8-10-15)12-34-22-18(30-24(34)36)11-29-20(32-22)16-5-3-4-6-17(16)23(35)37-2;1-2-4-5-3-1/h2-9,12,14,37H,10-11,13H2,1H3,(H,31,36);4-12,14H,3,13H2,1-2H3,(H,31,37);3-11,13H,12H2,1-2H3,(H,30,36);1-4H2
InChIKeyHXVBBQVZWRMLFT-UHFFFAOYSA-N
MW1593.54 g/mol
LogP13.92
Rot. Bonds16

About 2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane

2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane (PubChem CID 158619529) has the molecular formula C81H69F9N18O8 and a molecular weight of 1593.54 g/mol. Its IUPAC name is 2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane.

Molecular Properties

Compound Name2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane
PubChem CID158619529
Molecular FormulaC81H69F9N18O8
Molecular Weight1593.54 g/mol
Exact Mass1592.54
IUPAC Name2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane
SMILESC1CCOC1.CCC(=O)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.COC(=O)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.Cn1cc(C(F)(F)F)nc1-c1ccc(Cn2c(=O)[nH]c3cnc(-c4ccccc4C4(O)CC4)nc32)cc1
InChIInChI=1S/2C26H21F3N6O2.C25H19F3N6O3.C4H8O/c1-34-14-20(26(27,28)29)32-22(34)16-8-6-15(7-9-16)13-35-23-19(31-24(35)36)12-30-21(33-23)17-4-2-3-5-18(17)25(37)10-11-25;1-3-20(36)17-6-4-5-7-18(17)22-30-12-19-24(33-22)35(25(37)31-19)13-15-8-10-16(11-9-15)23-32-21(14-34(23)2)26(27,28)29;1-33-13-19(25(26,27)28)31-21(33)15-9-7-14(8-10-15)12-34-22-18(30-24(34)36)11-29-20(32-22)16-5-3-4-6-17(16)23(35)37-2;1-2-4-5-3-1/h2-9,12,14,37H,10-11,13H2,1H3,(H,31,36);4-12,14H,3,13H2,1-2H3,(H,31,37);3-11,13H,12H2,1-2H3,(H,30,36);1-4H2
InChIKeyHXVBBQVZWRMLFT-UHFFFAOYSA-N
XLogP13.92
TPSA317.00 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001593.54
LogP ≤ 513.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[4-(Cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;methyl 4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoate
CID 157443351
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine;2-[(7H-purin-6-ylamino)methyl]benzoic acid;N-(2-pyridin-2-ylethyl)-7H-purin-6-amine;N-[2-[4-(trifluoromethyl)phenyl]ethyl]-7H-purin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 157755552
sodium;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzoate;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzoic acid;hydroxide
CID 157919609
Tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-amine;2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;methyl 3-fluoro-2-phenylimidazo[1,2-a]pyridine-7-carboxylate;methyl 3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-[(2,2,2-trifluoro-1-phenylethylidene)amino]pyridine-4-carboxylate;hydrochloride
CID 157972960
2-[2-(1-hydroxycyclopropyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-hydroxypropan-2-yl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-hydroxypropan-2-yl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[[4-(3H-pyrrol-2-yl)phenyl]methyl]purin-8-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158427900
Methyl 2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoate;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid
CID 158614650
2-[2-(difluoromethoxy)-3-pyridinyl]-4-(methylamino)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-hydroxypropan-2-yl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[[4-(3H-pyrrol-2-yl)phenyl]methyl]purin-8-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[8-oxo-2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-7-yl]propanoic acid
CID 158637672
4-[3-(4-Carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;methyl 4-[3-(4-methoxycarbonyl-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoate
CID 158654488
magnesium;N-(7-acetyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;1-(3-amino-2-phenylimidazo[1,2-a]pyridin-7-yl)ethanone;carbanide;deuterio(fluoro)methane;N-[7-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;bromide
CID 158980010
Tert-butyl 2-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetate;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-amine;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine-7-carboxylic acid;2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;methyl 2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-fluoro-2-phenylimidazo[1,2-a]pyridine-7-carboxylate;methyl 3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-[(2,2,2-trifluoro-1-phenylethylidene)amino]pyridine-4-carboxylate;hydrochloride
CID 158985250
tert-butyl 3-[2-[[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]methyl]pyrimidin-4-yl]piperidine-1-carboxylate;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-prop-2-enoylpiperidin-3-yl)pyrimidin-2-yl]methyl]benzamide;4-methyl-3-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrimidin-2-yl]amino]benzoic acid
CID 159095178
tert-butyl 4-fluoro-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[3-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;N-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide
CID 159248101

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane?
The IUPAC name of 2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane (CID 158619529) is 2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane.
What is the SMILES notation for 2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane?
The canonical SMILES for 2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane is C1CCOC1.CCC(=O)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.COC(=O)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.Cn1cc(C(F)(F)F)nc1-c1ccc(Cn2c(=O)[nH]c3cnc(-c4ccccc4C4(O)CC4)nc32)cc1.
What is the InChIKey of 2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane?
The InChIKey is HXVBBQVZWRMLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H21F3N6O2.C25H19F3N6O3.C4H8O/c1-34-14-20(26(27,28)29)32-22(34)16-8-6-15(7-9-16)13-35-23-19(31-24(35)36)12-30-21(33-23)17-4-2-3-5-18(17)25(37)10-11-25;1-3-20(36)17-6-4-5-7-18(17)22-30-12-19-24(33-22)35(25(37)31-19)13-15-8-10-16(11-9-15)23-32-21(14-34(23)2)26(27,28)29;1-33-13-19(25(26,27)28)31-21(33)15-9-7-14(8-10-15)12-34-22-18(30-24(34)36)11-29-20(32-22)16-5-3-4-6-17(16)23(35)37-2;1-2-4-5-3-1/h2-9,12,14,37H,10-11,13H2,1H3,(H,31,36);4-12,14H,3,13H2,1-2H3,(H,31,37);3-11,13H,12H2,1-2H3,(H,30,36);1-4H2.
What are the key properties of 2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane?
2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane has a molecular weight of 1593.54 g/mol, XLogP of 13.92, 16 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane is sourced from PubChem (CID 158619529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).