4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C132H150Cl2N28O15 — CID 160522599

About 4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 160522599) has the molecular formula C132H150Cl2N28O15 and a molecular weight of 2439.74 g/mol. Its IUPAC name is 4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 160522599
• Molecular Formula: C132H150Cl2N28O15
• Molecular Weight: 2439.74 g/mol
• Exact Mass: 2437.12
• IUPAC Name: 4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CCN1CCc2ncc(-c3ccc(CN4C(=O)Cc5c(N)nc(OCCOC)nc54)cc3)cc2C1.COCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3ccc(CN4CCCC4)cc3)c(Cl)c1)C(=O)C2.COCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3ccc(CN4CCCC4)cc3)cc1Cl)C(=O)C2.COCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3ccc(CN4CCCC4)cc3)nc1)C(=O)C2.COCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3cccc(CN4CCCC4)c3)nc1)C(=O)C2
• InChI: InChI=1S/2C27H30ClN5O3.3C26H30N6O3/c1-35-12-13-36-27-30-25(29)22-15-24(34)33(26(22)31-27)17-19-6-9-21(23(28)14-19)20-7-4-18(5-8-20)16-32-10-2-3-11-32;1-35-12-13-36-27-30-25(29)22-15-24(34)33(26(22)31-27)17-21-9-8-20(14-23(21)28)19-6-4-18(5-7-19)16-32-10-2-3-11-32;1-34-12-13-35-26-29-24(27)21-14-23(33)32(25(21)30-26)17-19-6-9-22(28-15-19)20-7-4-18(5-8-20)16-31-10-2-3-11-31;1-34-11-12-35-26-29-24(27)21-14-23(33)32(25(21)30-26)17-19-7-8-22(28-15-19)20-6-4-5-18(13-20)16-31-9-2-3-10-31;1-3-31-9-8-22-20(16-31)12-19(14-28-22)18-6-4-17(5-7-18)15-32-23(33)13-21-24(27)29-26(30-25(21)32)35-11-10-34-2/h2*4-9,14H,2-3,10-13,15-17H2,1H3,(H2,29,30,31);4-9,15H,2-3,10-14,16-17H2,1H3,(H2,27,29,30);4-8,13,15H,2-3,9-12,14,16-17H2,1H3,(H2,27,29,30);4-7,12,14H,3,8-11,13,15-16H2,1-2H3,(H2,27,29,30)
• InChIKey: QULYCWRFWSGAKD-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 507.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 44
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2439.74
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 160522599) is 4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCN1CCc2ncc(-c3ccc(CN4C(=O)Cc5c(N)nc(OCCOC)nc54)cc3)cc2C1.COCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3ccc(CN4CCCC4)cc3)c(Cl)c1)C(=O)C2.COCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3ccc(CN4CCCC4)cc3)cc1Cl)C(=O)C2.COCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3ccc(CN4CCCC4)cc3)nc1)C(=O)C2.COCCOc1nc(N)c2c(n1)N(Cc1ccc(-c3cccc(CN4CCCC4)c3)nc1)C(=O)C2.

What is the InChIKey of 4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is QULYCWRFWSGAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H30ClN5O3.3C26H30N6O3/c1-35-12-13-36-27-30-25(29)22-15-24(34)33(26(22)31-27)17-19-6-9-21(23(28)14-19)20-7-4-18(5-8-20)16-32-10-2-3-11-32;1-35-12-13-36-27-30-25(29)22-15-24(34)33(26(22)31-27)17-21-9-8-20(14-23(21)28)19-6-4-18(5-7-19)16-32-10-2-3-11-32;1-34-12-13-35-26-29-24(27)21-14-23(33)32(25(21)30-26)17-19-6-9-22(28-15-19)20-7-4-18(5-8-20)16-31-10-2-3-11-31;1-34-11-12-35-26-29-24(27)21-14-23(33)32(25(21)30-26)17-19-7-8-22(28-15-19)20-6-4-5-18(13-20)16-31-9-2-3-10-31;1-3-31-9-8-22-20(16-31)12-19(14-28-22)18-6-4-17(5-7-18)15-32-23(33)13-21-24(27)29-26(30-25(21)32)35-11-10-34-2/h2*4-9,14H,2-3,10-13,15-17H2,1H3,(H2,29,30,31);4-9,15H,2-3,10-14,16-17H2,1H3,(H2,27,29,30);4-8,13,15H,2-3,9-12,14,16-17H2,1H3,(H2,27,29,30);4-7,12,14H,3,8-11,13,15-16H2,1-2H3,(H2,27,29,30).

What are the key properties of 4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2439.74 g/mol, XLogP of 16.45, 44 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-7-[[2-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-chloro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[4-(6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-(2-methoxyethoxy)-7-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 160522599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).