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

C128H134F4N20O10 — CID 159248101

About 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

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 (PubChem CID 159248101) has the molecular formula C128H134F4N20O10 and a molecular weight of 2188.60 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159248101
• Molecular Formula: C128H134F4N20O10
• Molecular Weight: 2188.60 g/mol
• Exact Mass: 2187.05
• IUPAC Name: 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
• SMILES: CC(=O)Nc1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.CC(=O)Nc1cccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)c1.CC(C)c1ccccc1-c1ncc2c(n1)N(CC1(F)CCN(C(=O)OC(C)(C)C)CC1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3ncc(C(F)(F)F)n3C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C3OCC3(C)C)cc1)C(=O)C2
• InChI: InChI=1S/C27H24F3N5O.C27H29N3O2.C26H33FN4O3.2C24H24N4O2/c1-16(2)20-6-4-5-7-21(20)24-31-13-19-12-23(36)35(26(19)33-24)15-17-8-10-18(11-9-17)25-32-14-22(34(25)3)27(28,29)30;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;1-17(2)19-8-6-7-9-20(19)22-28-15-18-14-21(32)31(23(18)29-22)16-26(27)10-12-30(13-11-26)24(33)34-25(3,4)5;1-15(2)20-9-4-5-10-21(20)23-25-13-18-12-22(30)28(24(18)27-23)14-17-7-6-8-19(11-17)26-16(3)29;1-15(2)20-6-4-5-7-21(20)23-25-13-18-12-22(30)28(24(18)27-23)14-17-8-10-19(11-9-17)26-16(3)29/h4-11,13-14,16H,12,15H2,1-3H3;5-12,14,17,24H,13,15-16H2,1-4H3;6-9,15,17H,10-14,16H2,1-5H3;2*4-11,13,15H,12,14H2,1-3H3,(H,26,29)
• InChIKey: KUXYSLNTZOTBSH-UHFFFAOYSA-N
• XLogP: 24.75
• TPSA: 345.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2188.60
LogP ≤ 5	24.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)Nc1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.CC(=O)Nc1cccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)c1.CC(C)c1ccccc1-c1ncc2c(n1)N(CC1(F)CCN(C(=O)OC(C)(C)C)CC1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3ncc(C(F)(F)F)n3C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C3OCC3(C)C)cc1)C(=O)C2.

What is the InChIKey of 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?

The InChIKey is KUXYSLNTZOTBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O.C27H29N3O2.C26H33FN4O3.2C24H24N4O2/c1-16(2)20-6-4-5-7-21(20)24-31-13-19-12-23(36)35(26(19)33-24)15-17-8-10-18(11-9-17)25-32-14-22(34(25)3)27(28,29)30;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;1-17(2)19-8-6-7-9-20(19)22-28-15-18-14-21(32)31(23(18)29-22)16-26(27)10-12-30(13-11-26)24(33)34-25(3,4)5;1-15(2)20-9-4-5-10-21(20)23-25-13-18-12-22(30)28(24(18)27-23)14-17-7-6-8-19(11-17)26-16(3)29;1-15(2)20-6-4-5-7-21(20)23-25-13-18-12-22(30)28(24(18)27-23)14-17-8-10-19(11-9-17)26-16(3)29/h4-11,13-14,16H,12,15H2,1-3H3;5-12,14,17,24H,13,15-16H2,1-4H3;6-9,15,17H,10-14,16H2,1-5H3;2*4-11,13,15H,12,14H2,1-3H3,(H,26,29).

What are the key properties of 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?

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 has a molecular weight of 2188.60 g/mol, XLogP of 24.75, 24 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159248101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).