9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one

C135H128N30O5 — CID 157247602

IUPAC9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3cn(C)cn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cccc4nccn34)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cccn4ccnc34)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cn(C)cn3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3ncn(C)n3)cc1)c(=O)n2C
InChIInChI=1S/2C29H26N6O.C26H26N6O.C26H25N5O.C25H25N7O/c1-19(2)22-7-4-5-8-24(22)26-31-17-25-28(32-26)35(29(36)33(25)3)18-20-10-12-21(13-11-20)23-9-6-15-34-16-14-30-27(23)34;1-19(2)22-7-4-5-8-23(22)27-31-17-25-28(32-27)35(29(36)33(25)3)18-20-11-13-21(14-12-20)24-9-6-10-26-30-15-16-34(24)26;1-17(2)20-7-5-6-8-21(20)24-27-13-23-25(29-24)32(26(33)31(23)4)14-18-9-11-19(12-10-18)22-15-30(3)16-28-22;1-17(2)21-6-4-5-7-22(21)25-27-13-20-12-24(32)31(26(20)29-25)14-18-8-10-19(11-9-18)23-15-30(3)16-28-23;1-16(2)19-7-5-6-8-20(19)23-26-13-21-24(28-23)32(25(33)31(21)4)14-17-9-11-18(12-10-17)22-27-15-30(3)29-22/h2*4-17,19H,18H2,1-3H3;5-13,15-17H,14H2,1-4H3;4-11,13,15-17H,12,14H2,1-3H3;5-13,15-16H,14H2,1-4H3
InChIKeyAVYSHPDKYCXXLN-UHFFFAOYSA-N
MW2250.71 g/mol
LogP23.46
Rot. Bonds25

About 9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one

9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one (PubChem CID 157247602) has the molecular formula C135H128N30O5 and a molecular weight of 2250.71 g/mol. Its IUPAC name is 9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one.

Molecular Properties

Compound Name9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
PubChem CID157247602
Molecular FormulaC135H128N30O5
Molecular Weight2250.71 g/mol
Exact Mass2249.07
IUPAC Name9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3cn(C)cn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cccc4nccn34)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cccn4ccnc34)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cn(C)cn3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3ncn(C)n3)cc1)c(=O)n2C
InChIInChI=1S/2C29H26N6O.C26H26N6O.C26H25N5O.C25H25N7O/c1-19(2)22-7-4-5-8-24(22)26-31-17-25-28(32-26)35(29(36)33(25)3)18-20-10-12-21(13-11-20)23-9-6-15-34-16-14-30-27(23)34;1-19(2)22-7-4-5-8-23(22)27-31-17-25-28(32-27)35(29(36)33(25)3)18-20-11-13-21(14-12-20)24-9-6-10-26-30-15-16-34(24)26;1-17(2)20-7-5-6-8-21(20)24-27-13-23-25(29-24)32(26(33)31(23)4)14-18-9-11-19(12-10-18)22-15-30(3)16-28-22;1-17(2)21-6-4-5-7-22(21)25-27-13-20-12-24(32)31(26(20)29-25)14-18-8-10-19(11-9-18)23-15-30(3)16-28-23;1-16(2)19-7-5-6-8-20(19)23-26-13-21-24(28-23)32(25(33)31(21)4)14-17-9-11-18(12-10-17)22-27-15-30(3)29-22/h2*4-17,19H,18H2,1-3H3;5-13,15-17H,14H2,1-4H3;4-11,13,15-17H,12,14H2,1-3H3;5-13,15-16H,14H2,1-4H3
InChIKeyAVYSHPDKYCXXLN-UHFFFAOYSA-N
XLogP23.46
TPSA357.88 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds25
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002250.71
LogP ≤ 523.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one?
The IUPAC name of 9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one (CID 157247602) is 9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one.
What is the SMILES notation for 9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one?
The canonical SMILES for 9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3cn(C)cn3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cccc4nccn34)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cccn4ccnc34)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cn(C)cn3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3ncn(C)n3)cc1)c(=O)n2C.
What is the InChIKey of 9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one?
The InChIKey is AVYSHPDKYCXXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H26N6O.C26H26N6O.C26H25N5O.C25H25N7O/c1-19(2)22-7-4-5-8-24(22)26-31-17-25-28(32-26)35(29(36)33(25)3)18-20-10-12-21(13-11-20)23-9-6-15-34-16-14-30-27(23)34;1-19(2)22-7-4-5-8-23(22)27-31-17-25-28(32-27)35(29(36)33(25)3)18-20-11-13-21(14-12-20)24-9-6-10-26-30-15-16-34(24)26;1-17(2)20-7-5-6-8-21(20)24-27-13-23-25(29-24)32(26(33)31(23)4)14-18-9-11-19(12-10-18)22-15-30(3)16-28-22;1-17(2)21-6-4-5-7-22(21)25-27-13-20-12-24(32)31(26(20)29-25)14-18-8-10-19(11-9-18)23-15-30(3)16-28-23;1-16(2)19-7-5-6-8-20(19)23-26-13-21-24(28-23)32(25(33)31(21)4)14-17-9-11-18(12-10-17)22-27-15-30(3)29-22/h2*4-17,19H,18H2,1-3H3;5-13,15-17H,14H2,1-4H3;4-11,13,15-17H,12,14H2,1-3H3;5-13,15-16H,14H2,1-4H3.
What are the key properties of 9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one?
9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one has a molecular weight of 2250.71 g/mol, XLogP of 23.46, 25 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyridin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one is sourced from PubChem (CID 157247602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).