7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C143H139N31O5 — CID 167678563

IUPAC7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(-c4ccccc4)nn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(C4CC4)nn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(CN(C)C)nn3)cc1)C(=O)C2.CCCc1cn(-c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)nn1.CCc1ccc(-c2cn(-c3ccc(CN4C(=O)Cc5cnc(-c6ccccc6C(C)C)nc54)cc3)nn2)cc1
InChIInChI=1S/C32H30N6O.C30H26N6O.C27H29N7O.C27H26N6O.C27H28N6O/c1-4-22-9-13-24(14-10-22)29-20-38(36-35-29)26-15-11-23(12-16-26)19-37-30(39)17-25-18-33-31(34-32(25)37)28-8-6-5-7-27(28)21(2)3;1-20(2)25-10-6-7-11-26(25)29-31-17-23-16-28(37)35(30(23)32-29)18-21-12-14-24(15-13-21)36-19-27(33-34-36)22-8-4-3-5-9-22;1-18(2)23-7-5-6-8-24(23)26-28-14-20-13-25(35)33(27(20)29-26)15-19-9-11-22(12-10-19)34-17-21(30-31-34)16-32(3)4;1-17(2)22-5-3-4-6-23(22)26-28-14-20-13-25(34)32(27(20)29-26)15-18-7-11-21(12-8-18)33-16-24(30-31-33)19-9-10-19;1-4-7-21-17-33(31-30-21)22-12-10-19(11-13-22)16-32-25(34)14-20-15-28-26(29-27(20)32)24-9-6-5-8-23(24)18(2)3/h5-16,18,20-21H,4,17,19H2,1-3H3;3-15,17,19-20H,16,18H2,1-2H3;5-12,14,17-18H,13,15-16H2,1-4H3;3-8,11-12,14,16-17,19H,9-10,13,15H2,1-2H3;5-6,8-13,15,17-18H,4,7,14,16H2,1-3H3
InChIKeyVEKBINKUXBNIDC-UHFFFAOYSA-N
MW2371.90 g/mol
LogP25.47
Rot. Bonds33

About 7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 167678563) has the molecular formula C143H139N31O5 and a molecular weight of 2371.90 g/mol. Its IUPAC name is 7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID167678563
Molecular FormulaC143H139N31O5
Molecular Weight2371.90 g/mol
Exact Mass2370.16
IUPAC Name7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(-c4ccccc4)nn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(C4CC4)nn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(CN(C)C)nn3)cc1)C(=O)C2.CCCc1cn(-c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)nn1.CCc1ccc(-c2cn(-c3ccc(CN4C(=O)Cc5cnc(-c6ccccc6C(C)C)nc54)cc3)nn2)cc1
InChIInChI=1S/C32H30N6O.C30H26N6O.C27H29N7O.C27H26N6O.C27H28N6O/c1-4-22-9-13-24(14-10-22)29-20-38(36-35-29)26-15-11-23(12-16-26)19-37-30(39)17-25-18-33-31(34-32(25)37)28-8-6-5-7-27(28)21(2)3;1-20(2)25-10-6-7-11-26(25)29-31-17-23-16-28(37)35(30(23)32-29)18-21-12-14-24(15-13-21)36-19-27(33-34-36)22-8-4-3-5-9-22;1-18(2)23-7-5-6-8-24(23)26-28-14-20-13-25(35)33(27(20)29-26)15-19-9-11-22(12-10-19)34-17-21(30-31-34)16-32(3)4;1-17(2)22-5-3-4-6-23(22)26-28-14-20-13-25(34)32(27(20)29-26)15-18-7-11-21(12-8-18)33-16-24(30-31-33)19-9-10-19;1-4-7-21-17-33(31-30-21)22-12-10-19(11-13-22)16-32-25(34)14-20-15-28-26(29-27(20)32)24-9-6-5-8-23(24)18(2)3/h5-16,18,20-21H,4,17,19H2,1-3H3;3-15,17,19-20H,16,18H2,1-2H3;5-12,14,17-18H,13,15-16H2,1-4H3;3-8,11-12,14,16-17,19H,9-10,13,15H2,1-2H3;5-6,8-13,15,17-18H,4,7,14,16H2,1-3H3
InChIKeyVEKBINKUXBNIDC-UHFFFAOYSA-N
XLogP25.47
TPSA387.24 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002371.90
LogP ≤ 525.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 167678563) is 7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(-c4ccccc4)nn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(C4CC4)nn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(CN(C)C)nn3)cc1)C(=O)C2.CCCc1cn(-c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)nn1.CCc1ccc(-c2cn(-c3ccc(CN4C(=O)Cc5cnc(-c6ccccc6C(C)C)nc54)cc3)nn2)cc1.
What is the InChIKey of 7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is VEKBINKUXBNIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6O.C30H26N6O.C27H29N7O.C27H26N6O.C27H28N6O/c1-4-22-9-13-24(14-10-22)29-20-38(36-35-29)26-15-11-23(12-16-26)19-37-30(39)17-25-18-33-31(34-32(25)37)28-8-6-5-7-27(28)21(2)3;1-20(2)25-10-6-7-11-26(25)29-31-17-23-16-28(37)35(30(23)32-29)18-21-12-14-24(15-13-21)36-19-27(33-34-36)22-8-4-3-5-9-22;1-18(2)23-7-5-6-8-24(23)26-28-14-20-13-25(35)33(27(20)29-26)15-19-9-11-22(12-10-19)34-17-21(30-31-34)16-32(3)4;1-17(2)22-5-3-4-6-23(22)26-28-14-20-13-25(34)32(27(20)29-26)15-18-7-11-21(12-8-18)33-16-24(30-31-33)19-9-10-19;1-4-7-21-17-33(31-30-21)22-12-10-19(11-13-22)16-32-25(34)14-20-15-28-26(29-27(20)32)24-9-6-5-8-23(24)18(2)3/h5-16,18,20-21H,4,17,19H2,1-3H3;3-15,17,19-20H,16,18H2,1-2H3;5-12,14,17-18H,13,15-16H2,1-4H3;3-8,11-12,14,16-17,19H,9-10,13,15H2,1-2H3;5-6,8-13,15,17-18H,4,7,14,16H2,1-3H3.
What are the key properties of 7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2371.90 g/mol, XLogP of 25.47, 33 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-cyclopropyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(4-ethylphenyl)triazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-phenyltriazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(4-propyltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 167678563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).