1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide

C134H138F5N31O7 — CID 158507729

About 1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide

1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide (PubChem CID 158507729) has the molecular formula C134H138F5N31O7 and a molecular weight of 2389.78 g/mol. Its IUPAC name is 1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide
• PubChem CID: 158507729
• Molecular Formula: C134H138F5N31O7
• Molecular Weight: 2389.78 g/mol
• Exact Mass: 2388.13
• IUPAC Name: 1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide
• SMILES: CC(C)c1ccccc1-c1ncc2c(n1)N(CC1CN(c3nccc(C(F)(F)F)n3)C1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3nccn3C(F)F)cc1)c(=O)n2C.Cc1cc(C(=O)N(C)C)nn1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.Cc1cc(C(=O)N(C)C)nn1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C4CC4)nc32)cc1.Cc1cn(C)c(N2CCC(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)CC2)n1
• InChI: InChI=1S/C29H28N6O2.C29H30N6O2.C26H24F2N6O.C26H33N7O.C24H23F3N6O/c1-18-14-25(29(37)33(2)3)32-35(18)22-12-8-19(9-13-22)17-34-26(36)15-21-16-30-27(31-28(21)34)24-7-5-4-6-23(24)20-10-11-20;1-18(2)23-8-6-7-9-24(23)27-30-16-21-15-26(36)34(28(21)31-27)17-20-10-12-22(13-11-20)35-19(3)14-25(32-35)29(37)33(4)5;1-16(2)19-6-4-5-7-20(19)22-30-14-21-24(31-22)34(26(35)32(21)3)15-17-8-10-18(11-9-17)23-29-12-13-33(23)25(27)28;1-17(2)20-8-6-7-9-21(20)23-27-14-22-24(29-23)33(26(34)31(22)5)16-19-10-12-32(13-11-19)25-28-18(3)15-30(25)4;1-14(2)17-5-3-4-6-18(17)21-29-10-16-9-20(34)33(22(16)31-21)13-15-11-32(12-15)23-28-8-7-19(30-23)24(25,26)27/h4-9,12-14,16,20H,10-11,15,17H2,1-3H3;6-14,16,18H,15,17H2,1-5H3;4-14,16,25H,15H2,1-3H3;6-9,14-15,17,19H,10-13,16H2,1-5H3;3-8,10,14-15H,9,11-13H2,1-2H3
• InChIKey: HKQWLWGVTTYJRE-UHFFFAOYSA-N
• XLogP: 22.07
• TPSA: 387.85 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2389.78
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide?

The IUPAC name of 1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide (CID 158507729) is 1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide is CC(C)c1ccccc1-c1ncc2c(n1)N(CC1CN(c3nccc(C(F)(F)F)n3)C1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3nccn3C(F)F)cc1)c(=O)n2C.Cc1cc(C(=O)N(C)C)nn1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.Cc1cc(C(=O)N(C)C)nn1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C4CC4)nc32)cc1.Cc1cn(C)c(N2CCC(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)CC2)n1.

What is the InChIKey of 1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide?

The InChIKey is HKQWLWGVTTYJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2.C29H30N6O2.C26H24F2N6O.C26H33N7O.C24H23F3N6O/c1-18-14-25(29(37)33(2)3)32-35(18)22-12-8-19(9-13-22)17-34-26(36)15-21-16-30-27(31-28(21)34)24-7-5-4-6-23(24)20-10-11-20;1-18(2)23-8-6-7-9-24(23)27-30-16-21-15-26(36)34(28(21)31-27)17-20-10-12-22(13-11-20)35-19(3)14-25(32-35)29(37)33(4)5;1-16(2)19-6-4-5-7-20(19)22-30-14-21-24(31-22)34(26(35)32(21)3)15-17-8-10-18(11-9-17)23-29-12-13-33(23)25(27)28;1-17(2)20-8-6-7-9-21(20)23-27-14-22-24(29-23)33(26(34)31(22)5)16-19-10-12-32(13-11-19)25-28-18(3)15-30(25)4;1-14(2)17-5-3-4-6-18(17)21-29-10-16-9-20(34)33(22(16)31-21)13-15-11-32(12-15)23-28-8-7-19(30-23)24(25,26)27/h4-9,12-14,16,20H,10-11,15,17H2,1-3H3;6-14,16,18H,15,17H2,1-5H3;4-14,16,25H,15H2,1-3H3;6-9,14-15,17,19H,10-13,16H2,1-5H3;3-8,10,14-15H,9,11-13H2,1-2H3.

What are the key properties of 1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide?

1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 2389.78 g/mol, XLogP of 22.07, 28 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;9-[[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[1-(1,4-dimethylimidazol-2-yl)piperidin-4-yl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;2-(2-propan-2-ylphenyl)-7-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N,5-trimethyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 158507729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).