2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C107H91F7N20O6 — CID 159800036

About 2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 159800036) has the molecular formula C107H91F7N20O6 and a molecular weight of 1886.02 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 159800036
• Molecular Formula: C107H91F7N20O6
• Molecular Weight: 1886.02 g/mol
• Exact Mass: 1884.73
• IUPAC Name: 2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(C)c1cccc(F)c1-c1ncc2c(n1)N(Cc1ccc(-n3cccn3)cc1)C(=O)C2.CCOC(=O)c1cc(C)nn1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C4CC4)nc32)cc1.Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C4CC4)nc32)cc1.O=C1Cc2cnc(-c3cc(C(F)(F)F)ccc3C3CC3)nc2N1Cc1ccc(-n2cccn2)cc1
• InChI: InChI=1S/C29H27N5O3.C27H22F3N5O.C26H20F3N5O.C25H22FN5O/c1-3-37-29(36)25-14-18(2)32-34(25)22-12-8-19(9-13-22)17-33-26(35)15-21-16-30-27(31-28(21)33)24-7-5-4-6-23(24)20-10-11-20;1-34-15-22(27(28,29)30)32-25(34)18-8-6-16(7-9-18)14-35-23(36)12-19-13-31-24(33-26(19)35)21-5-3-2-4-20(21)17-10-11-17;27-26(28,29)19-6-9-21(17-4-5-17)22(13-19)24-30-14-18-12-23(35)33(25(18)32-24)15-16-2-7-20(8-3-16)34-11-1-10-31-34;1-16(2)20-5-3-6-21(26)23(20)24-27-14-18-13-22(32)30(25(18)29-24)15-17-7-9-19(10-8-17)31-12-4-11-28-31/h4-9,12-14,16,20H,3,10-11,15,17H2,1-2H3;2-9,13,15,17H,10-12,14H2,1H3;1-3,6-11,13-14,17H,4-5,12,15H2;3-12,14,16H,13,15H2,1-2H3
• InChIKey: NJRAURBDOGKYTI-UHFFFAOYSA-N
• XLogP: 20.31
• TPSA: 281.94 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1886.02
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 159800036) is 2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1cccc(F)c1-c1ncc2c(n1)N(Cc1ccc(-n3cccn3)cc1)C(=O)C2.CCOC(=O)c1cc(C)nn1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C4CC4)nc32)cc1.Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C4CC4)nc32)cc1.O=C1Cc2cnc(-c3cc(C(F)(F)F)ccc3C3CC3)nc2N1Cc1ccc(-n2cccn2)cc1.

What is the InChIKey of 2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is NJRAURBDOGKYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3.C27H22F3N5O.C26H20F3N5O.C25H22FN5O/c1-3-37-29(36)25-14-18(2)32-34(25)22-12-8-19(9-13-22)17-33-26(35)15-21-16-30-27(31-28(21)33)24-7-5-4-6-23(24)20-10-11-20;1-34-15-22(27(28,29)30)32-25(34)18-8-6-16(7-9-18)14-35-23(36)12-19-13-31-24(33-26(19)35)21-5-3-2-4-20(21)17-10-11-17;27-26(28,29)19-6-9-21(17-4-5-17)22(13-19)24-30-14-18-12-23(35)33(25(18)32-24)15-16-2-7-20(8-3-16)34-11-1-10-31-34;1-16(2)20-5-3-6-21(26)23(20)24-27-14-18-13-22(32)30(25(18)29-24)15-17-7-9-19(10-8-17)31-12-4-11-28-31/h4-9,12-14,16,20H,3,10-11,15,17H2,1-2H3;2-9,13,15,17H,10-12,14H2,1H3;1-3,6-11,13-14,17H,4-5,12,15H2;3-12,14,16H,13,15H2,1-2H3.

What are the key properties of 2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1886.02 g/mol, XLogP of 20.31, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159800036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).