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

C23H20ClFN6O — CID 46221051

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

4-amino-2-[3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 46221051) has the molecular formula C23H20ClFN6O and a molecular weight of 450.91 g/mol. Its IUPAC name is 4-amino-2-[3-[(2-chloro-6-fluoro-3-methylphenyl)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-[3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 46221051
• Molecular Formula: C23H20ClFN6O
• Molecular Weight: 450.91 g/mol
• Exact Mass: 450.14
• IUPAC Name: 4-amino-2-[3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: Cc1ccc(F)c(Cc2nc(-c3nc(N)c4c(n3)NC(=O)C4(C)C)c3ccccn23)c1Cl
• InChI: InChI=1S/C23H20ClFN6O/c1-11-7-8-13(25)12(17(11)24)10-15-27-18(14-6-4-5-9-31(14)15)21-28-19(26)16-20(29-21)30-22(32)23(16,2)3/h4-9H,10H2,1-3H3,(H3,26,28,29,30,32)
• InChIKey: LMWYZXMZSSLIMT-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 98.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.91
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-[(2-chloro-6-fluoro-3-methylphenyl)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-[3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 46221051) is 4-amino-2-[3-[(2-chloro-6-fluoro-3-methylphenyl)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-[3-[(2-chloro-6-fluoro-3-methylphenyl)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-[3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1ccc(F)c(Cc2nc(-c3nc(N)c4c(n3)NC(=O)C4(C)C)c3ccccn23)c1Cl.

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

The InChIKey is LMWYZXMZSSLIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O/c1-11-7-8-13(25)12(17(11)24)10-15-27-18(14-6-4-5-9-31(14)15)21-28-19(26)16-20(29-21)30-22(32)23(16,2)3/h4-9H,10H2,1-3H3,(H3,26,28,29,30,32).

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

4-amino-2-[3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 450.91 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-[3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 46221051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).