2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

C25H21ClF3N7O5S — CID 129097986

About 2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 129097986) has the molecular formula C25H21ClF3N7O5S and a molecular weight of 624.00 g/mol. Its IUPAC name is 2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 129097986
• Molecular Formula: C25H21ClF3N7O5S
• Molecular Weight: 624.00 g/mol
• Exact Mass: 623.10
• IUPAC Name: 2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1-c1ccc(S(C)(=O)=O)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H20ClN7O3S.C2HF3O2/c1-13(28-23(32)19-21(25)29-31-9-3-8-27-22(19)31)16-10-17(24)18-11-26-12-30(18)20(16)14-4-6-15(7-5-14)35(2,33)34;3-2(4,5)1(6)7/h3-13H,1-2H3,(H2,25,29)(H,28,32);(H,6,7)
• InChIKey: NOGYBTNHGHGGDH-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 174.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	624.00
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 129097986) is 2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1-c1ccc(S(C)(=O)=O)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is NOGYBTNHGHGGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O3S.C2HF3O2/c1-13(28-23(32)19-21(25)29-31-9-3-8-27-22(19)31)16-10-17(24)18-11-26-12-30(18)20(16)14-4-6-15(7-5-14)35(2,33)34;3-2(4,5)1(6)7/h3-13H,1-2H3,(H2,25,29)(H,28,32);(H,6,7).

What are the key properties of 2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 624.00 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 129097986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).