7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C147H164N20O12 — CID 160787701

About 7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 160787701) has the molecular formula C147H164N20O12 and a molecular weight of 2403.06 g/mol. Its IUPAC name is 7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 160787701
• Molecular Formula: C147H164N20O12
• Molecular Weight: 2403.06 g/mol
• Exact Mass: 2401.28
• IUPAC Name: 7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-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)N3CCCCC3C)cc1)C(=O)C2.CC1CCCN(C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)C1.CCC1CCCCN1C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.COC1CCCN(C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)C1.COCC1CCCCN1C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1
• InChI: InChI=1S/C30H34N4O3.C30H34N4O2.C29H32N4O3.2C29H32N4O2/c1-20(2)25-9-4-5-10-26(25)28-31-17-23-16-27(35)34(29(23)32-28)18-21-11-13-22(14-12-21)30(36)33-15-7-6-8-24(33)19-37-3;1-4-24-9-7-8-16-33(24)30(36)22-14-12-21(13-15-22)19-34-27(35)17-23-18-31-28(32-29(23)34)26-11-6-5-10-25(26)20(2)3;1-19(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(18-32)36-3;1-19(2)24-9-4-5-10-25(24)27-30-17-23-16-26(34)33(28(23)31-27)18-21-11-13-22(14-12-21)29(35)32-15-7-6-8-20(32)3;1-19(2)24-8-4-5-9-25(24)27-30-16-23-15-26(34)33(28(23)31-27)18-21-10-12-22(13-11-21)29(35)32-14-6-7-20(3)17-32/h4-5,9-14,17,20,24H,6-8,15-16,18-19H2,1-3H3;5-6,10-15,18,20,24H,4,7-9,16-17,19H2,1-3H3;4-5,8-13,16,19,23H,6-7,14-15,17-18H2,1-3H3;4-5,9-14,17,19-20H,6-8,15-16,18H2,1-3H3;4-5,8-13,16,19-20H,6-7,14-15,17-18H2,1-3H3
• InChIKey: SBKRFQJABKDGRG-UHFFFAOYSA-N
• XLogP: 25.97
• TPSA: 350.46 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2403.06
LogP ≤ 5	25.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 160787701) is 7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-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)N3CCCCC3C)cc1)C(=O)C2.CC1CCCN(C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)C1.CCC1CCCCN1C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.COC1CCCN(C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)C1.COCC1CCCCN1C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.

What is the InChIKey of 7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is SBKRFQJABKDGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3.C30H34N4O2.C29H32N4O3.2C29H32N4O2/c1-20(2)25-9-4-5-10-26(25)28-31-17-23-16-27(35)34(29(23)32-28)18-21-11-13-22(14-12-21)30(36)33-15-7-6-8-24(33)19-37-3;1-4-24-9-7-8-16-33(24)30(36)22-14-12-21(13-15-22)19-34-27(35)17-23-18-31-28(32-29(23)34)26-11-6-5-10-25(26)20(2)3;1-19(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(18-32)36-3;1-19(2)24-9-4-5-10-25(24)27-30-17-23-16-26(34)33(28(23)31-27)18-21-11-13-22(14-12-21)29(35)32-15-7-6-8-20(32)3;1-19(2)24-8-4-5-9-25(24)27-30-16-23-15-26(34)33(28(23)31-27)18-21-10-12-22(13-11-21)29(35)32-14-6-7-20(3)17-32/h4-5,9-14,17,20,24H,6-8,15-16,18-19H2,1-3H3;5-6,10-15,18,20,24H,4,7-9,16-17,19H2,1-3H3;4-5,8-13,16,19,23H,6-7,14-15,17-18H2,1-3H3;4-5,9-14,17,19-20H,6-8,15-16,18H2,1-3H3;4-5,8-13,16,19-20H,6-7,14-15,17-18H2,1-3H3.

What are the key properties of 7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2403.06 g/mol, XLogP of 25.97, 29 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-(2-ethylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methoxypiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 160787701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).