4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C85H62Cl2F13N25O4S — CID 159891341

About 4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 159891341) has the molecular formula C85H62Cl2F13N25O4S and a molecular weight of 1847.55 g/mol. Its IUPAC name is 4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 159891341
• Molecular Formula: C85H62Cl2F13N25O4S
• Molecular Weight: 1847.55 g/mol
• Exact Mass: 1845.43
• IUPAC Name: 4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC1(C)C(=O)Nc2nc(-c3nc(Cc4c(F)ccc(F)c4F)n4cc(Cl)ccc34)nc(N)c21.CC1(C)C(=O)Nc2nc(-c3nc(Cc4c(F)ccc(F)c4F)n4cc(F)ccc34)nc(N)c21.CC1(C)C(=O)Nc2nc(-c3nc(Cc4c(F)ccc(F)c4F)n4ncccc34)nc(N)c21.CC1(C)C(=O)Nc2nc(-n3nc(Cc4c(F)ccc(F)c4F)c4cc(Cl)sc43)nc(N)c21
• InChI: InChI=1S/C22H16ClF3N6O.C22H16F4N6O.C21H16F3N7O.C20H14ClF3N6OS/c2*1-22(2)15-18(27)29-20(30-19(15)31-21(22)33)17-13-6-3-9(23)8-32(13)14(28-17)7-10-11(24)4-5-12(25)16(10)26;1-21(2)14-17(25)28-19(29-18(14)30-20(21)32)16-12-4-3-7-26-31(12)13(27-16)8-9-10(22)5-6-11(23)15(9)24;1-20(2)13-15(25)26-19(28-16(13)27-18(20)31)30-17-8(6-12(21)32-17)11(29-30)5-7-9(22)3-4-10(23)14(7)24/h2*3-6,8H,7H2,1-2H3,(H3,27,29,30,31,33);3-7H,8H2,1-2H3,(H3,25,28,29,30,32);3-4,6H,5H2,1-2H3,(H3,25,26,27,28,31)
• InChIKey: NUUGBSMTTFTWNX-UHFFFAOYSA-N
• XLogP: 15.37
• TPSA: 406.21 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1847.55
LogP ≤ 5	15.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 159891341) is 4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)Nc2nc(-c3nc(Cc4c(F)ccc(F)c4F)n4cc(Cl)ccc34)nc(N)c21.CC1(C)C(=O)Nc2nc(-c3nc(Cc4c(F)ccc(F)c4F)n4cc(F)ccc34)nc(N)c21.CC1(C)C(=O)Nc2nc(-c3nc(Cc4c(F)ccc(F)c4F)n4ncccc34)nc(N)c21.CC1(C)C(=O)Nc2nc(-n3nc(Cc4c(F)ccc(F)c4F)c4cc(Cl)sc43)nc(N)c21.

What is the InChIKey of 4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is NUUGBSMTTFTWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N6O.C22H16F4N6O.C21H16F3N7O.C20H14ClF3N6OS/c2*1-22(2)15-18(27)29-20(30-19(15)31-21(22)33)17-13-6-3-9(23)8-32(13)14(28-17)7-10-11(24)4-5-12(25)16(10)26;1-21(2)14-17(25)28-19(29-18(14)30-20(21)32)16-12-4-3-7-26-31(12)13(27-16)8-9-10(22)5-6-11(23)15(9)24;1-20(2)13-15(25)26-19(28-16(13)27-18(20)31)30-17-8(6-12(21)32-17)11(29-30)5-7-9(22)3-4-10(23)14(7)24/h2*3-6,8H,7H2,1-2H3,(H3,27,29,30,31,33);3-7H,8H2,1-2H3,(H3,25,28,29,30,32);3-4,6H,5H2,1-2H3,(H3,25,26,27,28,31).

What are the key properties of 4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1847.55 g/mol, XLogP of 15.37, 12 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-[6-chloro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[5-chloro-3-[(2,3,6-trifluorophenyl)methyl]thieno[2,3-c]pyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-5,5-dimethyl-2-[7-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-b]pyridazin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159891341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).