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

C22H18ClFN6O — CID 46223958

About 4-amino-2-[6-chloro-3-[(2-fluorophenyl)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-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 46223958) has the molecular formula C22H18ClFN6O and a molecular weight of 436.88 g/mol. Its IUPAC name is 4-amino-2-[6-chloro-3-[(2-fluorophenyl)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-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 46223958
• Molecular Formula: C22H18ClFN6O
• Molecular Weight: 436.88 g/mol
• Exact Mass: 436.12
• IUPAC Name: 4-amino-2-[6-chloro-3-[(2-fluorophenyl)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(Cc4ccccc4F)n4cc(Cl)ccc34)nc(N)c21
• InChI: InChI=1S/C22H18ClFN6O/c1-22(2)16-18(25)27-20(28-19(16)29-21(22)31)17-14-8-7-12(23)10-30(14)15(26-17)9-11-5-3-4-6-13(11)24/h3-8,10H,9H2,1-2H3,(H3,25,27,28,29,31)
• InChIKey: WNEUBLWNRWUJMQ-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 98.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.88
LogP ≤ 5	3.99
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-[(2-fluorophenyl)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-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 46223958) is 4-amino-2-[6-chloro-3-[(2-fluorophenyl)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-fluorophenyl)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-fluorophenyl)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(Cc4ccccc4F)n4cc(Cl)ccc34)nc(N)c21.

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

The InChIKey is WNEUBLWNRWUJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN6O/c1-22(2)16-18(25)27-20(28-19(16)29-21(22)31)17-14-8-7-12(23)10-30(14)15(26-17)9-11-5-3-4-6-13(11)24/h3-8,10H,9H2,1-2H3,(H3,25,27,28,29,31).

What are the key properties of 4-amino-2-[6-chloro-3-[(2-fluorophenyl)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-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 436.88 g/mol, XLogP of 3.99, 3 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-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 46223958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).