1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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

C136H135F7N28O8 — CID 160943177

About 1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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 160943177) has the molecular formula C136H135F7N28O8 and a molecular weight of 2422.75 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;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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: 160943177
• Molecular Formula: C136H135F7N28O8
• Molecular Weight: 2422.75 g/mol
• Exact Mass: 2421.09
• 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;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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(CC1(F)CCN(c3cccnc3)CC1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(CC1CN(c3nccc(C(F)(F)F)n3)C1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3CCO)cc1)C(=O)C2.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
• InChI: InChI=1S/C29H28N6O2.C29H30N6O2.C28H26F3N5O2.C26H28FN5O.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;1-17(2)21-5-3-4-6-22(21)25-32-14-20-13-24(38)36(27(20)34-25)15-18-7-9-19(10-8-18)26-33-23(28(29,30)31)16-35(26)11-12-37;1-18(2)21-7-3-4-8-22(21)24-29-15-19-14-23(33)32(25(19)30-24)17-26(27)9-12-31(13-10-26)20-6-5-11-28-16-20;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;3-10,14,16-17,37H,11-13,15H2,1-2H3;3-8,11,15-16,18H,9-10,12-14,17H2,1-2H3;3-8,10,14-15H,9,11-13H2,1-2H3
• InChIKey: SUTVQJVHFXMDLN-UHFFFAOYSA-N
• XLogP: 22.75
• TPSA: 389.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2422.75
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

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;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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 160943177) is 1-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-N,N,5-trimethylpyrazole-3-carboxamide;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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(CC1(F)CCN(c3cccnc3)CC1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(CC1CN(c3nccc(C(F)(F)F)n3)C1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3CCO)cc1)C(=O)C2.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.

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;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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 SUTVQJVHFXMDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2.C29H30N6O2.C28H26F3N5O2.C26H28FN5O.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;1-17(2)21-5-3-4-6-22(21)25-32-14-20-13-24(38)36(27(20)34-25)15-18-7-9-19(10-8-18)26-33-23(28(29,30)31)16-35(26)11-12-37;1-18(2)21-7-3-4-8-22(21)24-29-15-19-14-23(33)32(25(19)30-24)17-26(27)9-12-31(13-10-26)20-6-5-11-28-16-20;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;3-10,14,16-17,37H,11-13,15H2,1-2H3;3-8,11,15-16,18H,9-10,12-14,17H2,1-2H3;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;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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 2422.75 g/mol, XLogP of 22.75, 29 rotatable bonds, 1 hydrogen bond donors, and 29 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;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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 160943177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).