7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide

C139H147F3N20O14 — CID 161040550

About 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide

7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 161040550) has the molecular formula C139H147F3N20O14 and a molecular weight of 2378.82 g/mol. Its IUPAC name is 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

• Compound Name: 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide
• PubChem CID: 161040550
• Molecular Formula: C139H147F3N20O14
• Molecular Weight: 2378.82 g/mol
• Exact Mass: 2377.14
• IUPAC Name: 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide
• SMILES: CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N(C)C3CCOC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N(C)CC(F)(F)F)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCOC[C@@H]3C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCOC[C@H]3C)cc1)C(=O)C2.COC[C@H]1CCCN1C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1
• InChI: InChI=1S/C29H32N4O3.3C28H30N4O3.C26H25F3N4O2/c1-19(2)24-8-4-5-9-25(24)27-30-16-22-15-26(34)33(28(22)31-27)17-20-10-12-21(13-11-20)29(35)32-14-6-7-23(32)18-36-3;1-18(2)23-6-4-5-7-24(23)26-29-15-21-14-25(33)32(27(21)30-26)16-19-8-10-20(11-9-19)28(34)31(3)22-12-13-35-17-22;2*1-18(2)23-6-4-5-7-24(23)26-29-15-22-14-25(33)32(27(22)30-26)16-20-8-10-21(11-9-20)28(34)31-12-13-35-17-19(31)3;1-16(2)20-6-4-5-7-21(20)23-30-13-19-12-22(34)33(24(19)31-23)14-17-8-10-18(11-9-17)25(35)32(3)15-26(27,28)29/h4-5,8-13,16,19,23H,6-7,14-15,17-18H2,1-3H3;4-11,15,18,22H,12-14,16-17H2,1-3H3;2*4-11,15,18-19H,12-14,16-17H2,1-3H3;4-11,13,16H,12,14-15H2,1-3H3/t23-;;2*19-;/m1.10./s1
• InChIKey: UAVBXAJNXCRPLG-JKCYFNQLSA-N
• XLogP: 22.25
• TPSA: 368.92 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2378.82
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide?

The IUPAC name of 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 161040550) is 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide.

What is the SMILES notation for 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide?

The canonical SMILES for 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N(C)C3CCOC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N(C)CC(F)(F)F)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCOC[C@@H]3C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCOC[C@H]3C)cc1)C(=O)C2.COC[C@H]1CCCN1C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.

What is the InChIKey of 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide?

The InChIKey is UAVBXAJNXCRPLG-JKCYFNQLSA-N. The full InChI is InChI=1S/C29H32N4O3.3C28H30N4O3.C26H25F3N4O2/c1-19(2)24-8-4-5-9-25(24)27-30-16-22-15-26(34)33(28(22)31-27)17-20-10-12-21(13-11-20)29(35)32-14-6-7-23(32)18-36-3;1-18(2)23-6-4-5-7-24(23)26-29-15-21-14-25(33)32(27(21)30-26)16-19-8-10-20(11-9-19)28(34)31(3)22-12-13-35-17-22;2*1-18(2)23-6-4-5-7-24(23)26-29-15-22-14-25(33)32(27(22)30-26)16-20-8-10-21(11-9-20)28(34)31-12-13-35-17-19(31)3;1-16(2)20-6-4-5-7-21(20)23-30-13-19-12-22(34)33(24(19)31-23)14-17-8-10-18(11-9-17)25(35)32(3)15-26(27,28)29/h4-5,8-13,16,19,23H,6-7,14-15,17-18H2,1-3H3;4-11,15,18,22H,12-14,16-17H2,1-3H3;2*4-11,15,18-19H,12-14,16-17H2,1-3H3;4-11,13,16H,12,14-15H2,1-3H3/t23-;;2*19-;/m1.10./s1.

What are the key properties of 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide?

7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 2378.82 g/mol, XLogP of 22.25, 29 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3R)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxolan-3-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 161040550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).