4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one

C23H21F3N8O2 — CID 118565956

About 4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 118565956) has the molecular formula C23H21F3N8O2 and a molecular weight of 498.47 g/mol. Its IUPAC name is 4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 118565956
• Molecular Formula: C23H21F3N8O2
• Molecular Weight: 498.47 g/mol
• Exact Mass: 498.17
• IUPAC Name: 4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: COc1ccc(C2(C)C(=O)Nc3nc(-c4cn5ccnc5c(CCCC(F)(F)F)n4)nc(N)c32)nc1
• InChI: InChI=1S/C23H21F3N8O2/c1-22(15-6-5-12(36-2)10-29-15)16-17(27)31-18(32-19(16)33-21(22)35)14-11-34-9-8-28-20(34)13(30-14)4-3-7-23(24,25)26/h5-6,8-11H,3-4,7H2,1-2H3,(H3,27,31,32,33,35)
• InChIKey: WPDBSAFJECZPQM-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 133.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.47
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 118565956) is 4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one is COc1ccc(C2(C)C(=O)Nc3nc(-c4cn5ccnc5c(CCCC(F)(F)F)n4)nc(N)c32)nc1.

What is the InChIKey of 4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is WPDBSAFJECZPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N8O2/c1-22(15-6-5-12(36-2)10-29-15)16-17(27)31-18(32-19(16)33-21(22)35)14-11-34-9-8-28-20(34)13(30-14)4-3-7-23(24,25)26/h5-6,8-11H,3-4,7H2,1-2H3,(H3,27,31,32,33,35).

What are the key properties of 4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?

4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 498.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 118565956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).