N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C145H162N20O13 — CID 158972235

About N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 158972235) has the molecular formula C145H162N20O13 and a molecular weight of 2393.02 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 158972235
• Molecular Formula: C145H162N20O13
• Molecular Weight: 2393.02 g/mol
• Exact Mass: 2391.26
• IUPAC Name: N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N(C)C3CCOCC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC[C@H]3C)cc1)C(=O)C2.CC1CCN(C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)CC1.COCC1CCCN(C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)C1.COCCN(C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1)C(C)C
• InChI: InChI=1S/C30H34N4O3.C29H32N4O3.C29H34N4O3.C29H32N4O2.C28H30N4O2/c1-20(2)25-8-4-5-9-26(25)28-31-16-24-15-27(35)34(29(24)32-28)18-21-10-12-23(13-11-21)30(36)33-14-6-7-22(17-33)19-37-3;1-19(2)24-6-4-5-7-25(24)27-30-17-22-16-26(34)33(28(22)31-27)18-20-8-10-21(11-9-20)29(35)32(3)23-12-14-36-15-13-23;1-19(2)24-8-6-7-9-25(24)27-30-17-23-16-26(34)33(28(23)31-27)18-21-10-12-22(13-11-21)29(35)32(20(3)4)14-15-36-5;1-19(2)24-6-4-5-7-25(24)27-30-17-23-16-26(34)33(28(23)31-27)18-21-8-10-22(11-9-21)29(35)32-14-12-20(3)13-15-32;1-18(2)23-8-4-5-9-24(23)26-29-16-22-15-25(33)32(27(22)30-26)17-20-10-12-21(13-11-20)28(34)31-14-6-7-19(31)3/h4-5,8-13,16,20,22H,6-7,14-15,17-19H2,1-3H3;4-11,17,19,23H,12-16,18H2,1-3H3;6-13,17,19-20H,14-16,18H2,1-5H3;4-11,17,19-20H,12-16,18H2,1-3H3;4-5,8-13,16,18-19H,6-7,14-15,17H2,1-3H3/t;;;;19-/m....1/s1
• InChIKey: JNYNNTLOXCVMAH-JTJPCTTNSA-N
• XLogP: 24.52
• TPSA: 359.69 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 32
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2393.02
LogP ≤ 5	24.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 158972235) is N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N(C)C3CCOCC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC[C@H]3C)cc1)C(=O)C2.CC1CCN(C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)CC1.COCC1CCCN(C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)C1.COCCN(C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1)C(C)C.

What is the InChIKey of N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is JNYNNTLOXCVMAH-JTJPCTTNSA-N. The full InChI is InChI=1S/C30H34N4O3.C29H32N4O3.C29H34N4O3.C29H32N4O2.C28H30N4O2/c1-20(2)25-8-4-5-9-26(25)28-31-16-24-15-27(35)34(29(24)32-28)18-21-10-12-23(13-11-21)30(36)33-14-6-7-22(17-33)19-37-3;1-19(2)24-6-4-5-7-25(24)27-30-17-22-16-26(34)33(28(22)31-27)18-20-8-10-21(11-9-20)29(35)32(3)23-12-14-36-15-13-23;1-19(2)24-8-6-7-9-25(24)27-30-17-23-16-26(34)33(28(23)31-27)18-21-10-12-22(13-11-21)29(35)32(20(3)4)14-15-36-5;1-19(2)24-6-4-5-7-25(24)27-30-17-23-16-26(34)33(28(23)31-27)18-21-8-10-22(11-9-21)29(35)32-14-12-20(3)13-15-32;1-18(2)23-8-4-5-9-24(23)26-29-16-22-15-25(33)32(27(22)30-26)17-20-10-12-21(13-11-20)28(34)31-14-6-7-19(31)3/h4-5,8-13,16,20,22H,6-7,14-15,17-19H2,1-3H3;4-11,17,19,23H,12-16,18H2,1-3H3;6-13,17,19-20H,14-16,18H2,1-5H3;4-11,17,19-20H,12-16,18H2,1-3H3;4-5,8-13,16,18-19H,6-7,14-15,17H2,1-3H3/t;;;;19-/m....1/s1.

What are the key properties of N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2393.02 g/mol, XLogP of 24.52, 32 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-propan-2-ylbenzamide;7-[[4-[3-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-methyl-N-(oxan-4-yl)-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 158972235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).