N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide

C137H144N22O10S — CID 159029018

About N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide

N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide (PubChem CID 159029018) has the molecular formula C137H144N22O10S and a molecular weight of 2290.87 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide.

Molecular Properties

• Compound Name: N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide
• PubChem CID: 159029018
• Molecular Formula: C137H144N22O10S
• Molecular Weight: 2290.87 g/mol
• Exact Mass: 2289.12
• IUPAC Name: N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide
• SMILES: CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)Cc3nccn3C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N(C)C(C)C)cc1)C(=O)C2.CCCN(C)C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.CCN(C)C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.Cc1nc(CN(C)C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)cs1
• InChI: InChI=1S/C29H29N5O2S.C28H27N5O2.2C27H30N4O2.C26H28N4O2/c1-18(2)24-7-5-6-8-25(24)27-30-14-22-13-26(35)34(28(22)32-27)15-20-9-11-21(12-10-20)29(36)33(4)16-23-17-37-19(3)31-23;1-18(2)22-6-4-5-7-23(22)27-30-16-21-14-26(35)33(28(21)31-27)17-19-8-10-20(11-9-19)24(34)15-25-29-12-13-32(25)3;1-17(2)22-8-6-7-9-23(22)25-28-15-21-14-24(32)31(26(21)29-25)16-19-10-12-20(13-11-19)27(33)30(5)18(3)4;1-5-14-30(4)27(33)20-12-10-19(11-13-20)17-31-24(32)15-21-16-28-25(29-26(21)31)23-9-7-6-8-22(23)18(2)3;1-5-29(4)26(32)19-12-10-18(11-13-19)16-30-23(31)14-20-15-27-24(28-25(20)30)22-9-7-6-8-21(22)17(2)3/h5-12,14,17-18H,13,15-16H2,1-4H3;4-13,16,18H,14-15,17H2,1-3H3;6-13,15,17-18H,14,16H2,1-5H3;6-13,16,18H,5,14-15,17H2,1-4H3;6-13,15,17H,5,14,16H2,1-4H3
• InChIKey: JUQIGKFHQOVIAE-UHFFFAOYSA-N
• XLogP: 24.03
• TPSA: 359.47 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 33
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2290.87
LogP ≤ 5	24.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide?

The IUPAC name of N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide (CID 159029018) is N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide.

What is the SMILES notation for N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide?

The canonical SMILES for N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)Cc3nccn3C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N(C)C(C)C)cc1)C(=O)C2.CCCN(C)C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.CCN(C)C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.Cc1nc(CN(C)C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)cs1.

What is the InChIKey of N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide?

The InChIKey is JUQIGKFHQOVIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2S.C28H27N5O2.2C27H30N4O2.C26H28N4O2/c1-18(2)24-7-5-6-8-25(24)27-30-14-22-13-26(35)34(28(22)32-27)15-20-9-11-21(12-10-20)29(36)33(4)16-23-17-37-19(3)31-23;1-18(2)22-6-4-5-7-23(22)27-30-16-21-14-26(35)33(28(21)31-27)17-19-8-10-20(11-9-19)24(34)15-25-29-12-13-32(25)3;1-17(2)22-8-6-7-9-23(22)25-28-15-21-14-24(32)31(26(21)29-25)16-19-10-12-20(13-11-19)27(33)30(5)18(3)4;1-5-14-30(4)27(33)20-12-10-19(11-13-20)17-31-24(32)15-21-16-28-25(29-26(21)31)23-9-7-6-8-22(23)18(2)3;1-5-29(4)26(32)19-12-10-18(11-13-19)16-30-23(31)14-20-15-27-24(28-25(20)30)22-9-7-6-8-21(22)17(2)3/h5-12,14,17-18H,13,15-16H2,1-4H3;4-13,16,18H,14-15,17H2,1-3H3;6-13,15,17-18H,14,16H2,1-5H3;6-13,16,18H,5,14-15,17H2,1-4H3;6-13,15,17H,5,14,16H2,1-4H3.

What are the key properties of N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide?

N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide has a molecular weight of 2290.87 g/mol, XLogP of 24.03, 33 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-[2-(1-methylimidazol-2-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-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-propan-2-ylbenzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propylbenzamide is sourced from PubChem (CID 159029018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).