4-amino-2-[6-chloro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C24H19ClF4N6O — CID 89438406

About 4-amino-2-[6-chloro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-2-[6-chloro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 89438406) has the molecular formula C24H19ClF4N6O and a molecular weight of 518.90 g/mol. Its IUPAC name is 4-amino-2-[6-chloro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-2-[6-chloro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 89438406
• Molecular Formula: C24H19ClF4N6O
• Molecular Weight: 518.90 g/mol
• Exact Mass: 518.12
• IUPAC Name: 4-amino-2-[6-chloro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC1(c2ccc(F)cc2)C(=O)Nc2nc(-c3nc(CCCC(F)(F)F)n4cc(Cl)ccc34)nc(N)c21
• InChI: InChI=1S/C24H19ClF4N6O/c1-23(12-4-7-14(26)8-5-12)17-19(30)32-21(33-20(17)34-22(23)36)18-15-9-6-13(25)11-35(15)16(31-18)3-2-10-24(27,28)29/h4-9,11H,2-3,10H2,1H3,(H3,30,32,33,34,36)
• InChIKey: MUCLUZUWQPZDSQ-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 98.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.90
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-amino-2-[6-chloro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 89438406) is 4-amino-2-[6-chloro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

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

The canonical SMILES for 4-amino-2-[6-chloro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(c2ccc(F)cc2)C(=O)Nc2nc(-c3nc(CCCC(F)(F)F)n4cc(Cl)ccc34)nc(N)c21.

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

The InChIKey is MUCLUZUWQPZDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF4N6O/c1-23(12-4-7-14(26)8-5-12)17-19(30)32-21(33-20(17)34-22(23)36)18-15-9-6-13(25)11-35(15)16(31-18)3-2-10-24(27,28)29/h4-9,11H,2-3,10H2,1H3,(H3,30,32,33,34,36).

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

4-amino-2-[6-chloro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 518.90 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-[6-chloro-3-(4,4,4-trifluorobutyl)imidazo[1,5-a]pyridin-1-yl]-5-(4-fluorophenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 89438406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).