4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C143H164F3N27O15 — CID 159001607

About 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 159001607) has the molecular formula C143H164F3N27O15 and a molecular weight of 2558.05 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 159001607
• Molecular Formula: C143H164F3N27O15
• Molecular Weight: 2558.05 g/mol
• Exact Mass: 2556.29
• IUPAC Name: 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: COCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3ccc(CN4CCCC4)cc3)cc1)C(=O)C2.COCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3cccc(CN4CCCC4)c3)cc1)C(=O)C2.Nc1nc(OCC2CCOCC2)nc2c1CC(=O)N2Cc1ccc(-c2ccc(CN3CCCC3)cn2)cc1.Nc1nc(OCC2CCOCC2)nc2c1CC(=O)N2Cc1ccc(-c2ccc(CN3CCCC3)nc2)cc1.Nc1nc(OCC2CCOCC2)nc2c1CC(=O)N2Cc1ccc(-c2cccc(CN3CCCC3)c2)c(C(F)(F)F)c1
• InChI: InChI=1S/C31H34F3N5O3.2C29H34N6O3.2C27H31N5O3/c32-31(33,34)26-15-22(6-7-24(26)23-5-3-4-21(14-23)17-38-10-1-2-11-38)18-39-27(40)16-25-28(35)36-30(37-29(25)39)42-19-20-8-12-41-13-9-20;30-27-24-15-26(36)35(28(24)33-29(32-27)38-19-21-9-13-37-14-10-21)18-20-3-6-23(7-4-20)25-8-5-22(16-31-25)17-34-11-1-2-12-34;30-27-25-15-26(36)35(28(25)33-29(32-27)38-19-21-9-13-37-14-10-21)17-20-3-5-22(6-4-20)23-7-8-24(31-16-23)18-34-11-1-2-12-34;1-34-14-15-35-27-29-25(28)23-16-24(33)32(26(23)30-27)18-20-6-10-22(11-7-20)21-8-4-19(5-9-21)17-31-12-2-3-13-31;1-34-13-14-35-27-29-25(28)23-16-24(33)32(26(23)30-27)18-19-7-9-21(10-8-19)22-6-4-5-20(15-22)17-31-11-2-3-12-31/h3-7,14-15,20H,1-2,8-13,16-19H2,(H2,35,36,37);2*3-8,16,21H,1-2,9-15,17-19H2,(H2,30,32,33);4-11H,2-3,12-18H2,1H3,(H2,28,29,30);4-10,15H,2-3,11-14,16-18H2,1H3,(H2,28,29,30)
• InChIKey: JRKBISOFEATWHE-UHFFFAOYSA-N
• XLogP: 19.33
• TPSA: 494.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 42
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2558.05
LogP ≤ 5	19.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 159001607) is 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is COCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3ccc(CN4CCCC4)cc3)cc1)C(=O)C2.COCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3cccc(CN4CCCC4)c3)cc1)C(=O)C2.Nc1nc(OCC2CCOCC2)nc2c1CC(=O)N2Cc1ccc(-c2ccc(CN3CCCC3)cn2)cc1.Nc1nc(OCC2CCOCC2)nc2c1CC(=O)N2Cc1ccc(-c2ccc(CN3CCCC3)nc2)cc1.Nc1nc(OCC2CCOCC2)nc2c1CC(=O)N2Cc1ccc(-c2cccc(CN3CCCC3)c2)c(C(F)(F)F)c1.

What is the InChIKey of 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is JRKBISOFEATWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N5O3.2C29H34N6O3.2C27H31N5O3/c32-31(33,34)26-15-22(6-7-24(26)23-5-3-4-21(14-23)17-38-10-1-2-11-38)18-39-27(40)16-25-28(35)36-30(37-29(25)39)42-19-20-8-12-41-13-9-20;30-27-24-15-26(36)35(28(24)33-29(32-27)38-19-21-9-13-37-14-10-21)18-20-3-6-23(7-4-20)25-8-5-22(16-31-25)17-34-11-1-2-12-34;30-27-25-15-26(36)35(28(25)33-29(32-27)38-19-21-9-13-37-14-10-21)17-20-3-5-22(6-4-20)23-7-8-24(31-16-23)18-34-11-1-2-12-34;1-34-14-15-35-27-29-25(28)23-16-24(33)32(26(23)30-27)18-20-6-10-22(11-7-20)21-8-4-19(5-9-21)17-31-12-2-3-13-31;1-34-13-14-35-27-29-25(28)23-16-24(33)32(26(23)30-27)18-19-7-9-21(10-8-19)22-6-4-5-20(15-22)17-31-11-2-3-12-31/h3-7,14-15,20H,1-2,8-13,16-19H2,(H2,35,36,37);2*3-8,16,21H,1-2,9-15,17-19H2,(H2,30,32,33);4-11H,2-3,12-18H2,1H3,(H2,28,29,30);4-10,15H,2-3,11-14,16-18H2,1H3,(H2,28,29,30).

What are the key properties of 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2558.05 g/mol, XLogP of 19.33, 42 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(2-methoxyethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(oxan-4-ylmethoxy)-7-[[4-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159001607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).