N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C144H153FN20O11 — CID 161197161

About N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 161197161) has the molecular formula C144H153FN20O11 and a molecular weight of 2358.93 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 161197161
• Molecular Formula: C144H153FN20O11
• Molecular Weight: 2358.93 g/mol
• Exact Mass: 2357.20
• IUPAC Name: N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-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)C3CCCCC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N(C)Cc3ccc(F)cc3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCOCC3)cc1)C(=O)C2.CC1CCN(C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)CC1.CCN(CC)C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1
• InChI: InChI=1S/C31H29FN4O2.C30H34N4O2.C29H32N4O2.C27H28N4O3.C27H30N4O2/c1-20(2)26-6-4-5-7-27(26)29-33-17-24-16-28(37)36(30(24)34-29)19-22-8-12-23(13-9-22)31(38)35(3)18-21-10-14-25(32)15-11-21;1-20(2)25-11-7-8-12-26(25)28-31-18-23-17-27(35)34(29(23)32-28)19-21-13-15-22(16-14-21)30(36)33(3)24-9-5-4-6-10-24;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)22-5-3-4-6-23(22)25-28-16-21-15-24(32)31(26(21)29-25)17-19-7-9-20(10-8-19)27(33)30-11-13-34-14-12-30;1-5-30(6-2)27(33)20-13-11-19(12-14-20)17-31-24(32)15-21-16-28-25(29-26(21)31)23-10-8-7-9-22(23)18(3)4/h4-15,17,20H,16,18-19H2,1-3H3;7-8,11-16,18,20,24H,4-6,9-10,17,19H2,1-3H3;4-11,17,19-20H,12-16,18H2,1-3H3;3-10,16,18H,11-15,17H2,1-2H3;7-14,16,18H,5-6,15,17H2,1-4H3
• InChIKey: UUMOHEIZWIYNBW-UHFFFAOYSA-N
• XLogP: 25.42
• TPSA: 341.23 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2358.93
LogP ≤ 5	25.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 161197161) is N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-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)C3CCCCC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N(C)Cc3ccc(F)cc3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCOCC3)cc1)C(=O)C2.CC1CCN(C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)CC1.CCN(CC)C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.

What is the InChIKey of N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is UUMOHEIZWIYNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN4O2.C30H34N4O2.C29H32N4O2.C27H28N4O3.C27H30N4O2/c1-20(2)26-6-4-5-7-27(26)29-33-17-24-16-28(37)36(30(24)34-29)19-22-8-12-23(13-9-22)31(38)35(3)18-21-10-14-25(32)15-11-21;1-20(2)25-11-7-8-12-26(25)28-31-18-23-17-27(35)34(29(23)32-28)19-21-13-15-22(16-14-21)30(36)33(3)24-9-5-4-6-10-24;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)22-5-3-4-6-23(22)25-28-16-21-15-24(32)31(26(21)29-25)17-19-7-9-20(10-8-19)27(33)30-11-13-34-14-12-30;1-5-30(6-2)27(33)20-13-11-19(12-14-20)17-31-24(32)15-21-16-28-25(29-26(21)31)23-10-8-7-9-22(23)18(3)4/h4-15,17,20H,16,18-19H2,1-3H3;7-8,11-16,18,20,24H,4-6,9-10,17,19H2,1-3H3;4-11,17,19-20H,12-16,18H2,1-3H3;3-10,16,18H,11-15,17H2,1-2H3;7-14,16,18H,5-6,15,17H2,1-4H3.

What are the key properties of N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2358.93 g/mol, XLogP of 25.42, 30 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N,N-diethyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-methyl-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-(morpholine-4-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 161197161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).