7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C135H137F6N21O4 — CID 167689244

About 7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 167689244) has the molecular formula C135H137F6N21O4 and a molecular weight of 2231.71 g/mol. Its IUPAC name is 7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 167689244
• Molecular Formula: C135H137F6N21O4
• Molecular Weight: 2231.71 g/mol
• Exact Mass: 2230.11
• IUPAC Name: 7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: C=C(C)Nc1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.C=C(C)Nc1cccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)c1.C=C1Cc2cnc(-c3ccccc3C(C)C)nc2N1[C@@H](C)c1ccc(-c2nc(C(F)(F)F)cn2C)cc1.C=C1Cc2cnc(-c3ccccc3C(C)C)nc2N1[C@H](C)c1ccc(-c2nc(C(F)(F)F)cn2C)cc1.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C3OCC3(C)C)cc1)C(=O)C2
• InChI: InChI=1S/2C29H28F3N5.C27H29N3O2.2C25H26N4O/c2*1-17(2)23-8-6-7-9-24(23)26-33-15-22-14-18(3)37(28(22)35-26)19(4)20-10-12-21(13-11-20)27-34-25(16-36(27)5)29(30,31)32;1-17(2)21-7-5-6-8-22(21)25-28-14-20-13-23(31)30(26(20)29-25)15-18-9-11-19(12-10-18)24-27(3,4)16-32-24;1-16(2)21-10-5-6-11-22(21)24-26-14-19-13-23(30)29(25(19)28-24)15-18-8-7-9-20(12-18)27-17(3)4;1-16(2)21-7-5-6-8-22(21)24-26-14-19-13-23(30)29(25(19)28-24)15-18-9-11-20(12-10-18)27-17(3)4/h2*6-13,15-17,19H,3,14H2,1-2,4-5H3;5-12,14,17,24H,13,15-16H2,1-4H3;2*5-12,14,16,27H,3,13,15H2,1-2,4H3/t2*19-;;;/m10.../s1
• InChIKey: WRISCNQPXXOPKK-UEWDSPRVSA-N
• XLogP: 30.70
• TPSA: 265.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2231.71
LogP ≤ 5	30.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 167689244) is 7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is C=C(C)Nc1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.C=C(C)Nc1cccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)c1.C=C1Cc2cnc(-c3ccccc3C(C)C)nc2N1[C@@H](C)c1ccc(-c2nc(C(F)(F)F)cn2C)cc1.C=C1Cc2cnc(-c3ccccc3C(C)C)nc2N1[C@H](C)c1ccc(-c2nc(C(F)(F)F)cn2C)cc1.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C3OCC3(C)C)cc1)C(=O)C2.

What is the InChIKey of 7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is WRISCNQPXXOPKK-UEWDSPRVSA-N. The full InChI is InChI=1S/2C29H28F3N5.C27H29N3O2.2C25H26N4O/c2*1-17(2)23-8-6-7-9-24(23)26-33-15-22-14-18(3)37(28(22)35-26)19(4)20-10-12-21(13-11-20)27-34-25(16-36(27)5)29(30,31)32;1-17(2)21-7-5-6-8-22(21)25-28-14-20-13-23(31)30(26(20)29-25)15-18-9-11-19(12-10-18)24-27(3,4)16-32-24;1-16(2)21-10-5-6-11-22(21)24-26-14-19-13-23(30)29(25(19)28-24)15-18-8-7-9-20(12-18)27-17(3)4;1-16(2)21-7-5-6-8-22(21)24-26-14-19-13-23(30)29(25(19)28-24)15-18-9-11-20(12-10-18)27-17(3)4/h2*6-13,15-17,19H,3,14H2,1-2,4-5H3;5-12,14,17,24H,13,15-16H2,1-4H3;2*5-12,14,16,27H,3,13,15H2,1-2,4H3/t2*19-;;;/m10.../s1.

What are the key properties of 7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2231.71 g/mol, XLogP of 30.70, 27 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-(3,3-dimethyloxetan-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;6-methylidene-7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;6-methylidene-7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidine;2-(2-propan-2-ylphenyl)-7-[[3-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(prop-1-en-2-ylamino)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 167689244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).