2-amino-N-[1-(4-chloro-7-pyridin-3-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

C23H18ClF3N8O3 — CID 129097585

About 2-amino-N-[1-(4-chloro-7-pyridin-3-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

2-amino-N-[1-(4-chloro-7-pyridin-3-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 129097585) has the molecular formula C23H18ClF3N8O3 and a molecular weight of 546.90 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chloro-7-pyridin-3-ylpyrazolo[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-(4-chloro-7-pyridin-3-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 129097585
• Molecular Formula: C23H18ClF3N8O3
• Molecular Weight: 546.90 g/mol
• Exact Mass: 546.11
• IUPAC Name: 2-amino-N-[1-(4-chloro-7-pyridin-3-ylpyrazolo[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)c2ccnn2c1-c1cccnc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H17ClN8O.C2HF3O2/c1-12(27-21(31)17-19(23)28-29-9-3-7-25-20(17)29)14-10-15(22)16-5-8-26-30(16)18(14)13-4-2-6-24-11-13;3-2(4,5)1(6)7/h2-12H,1H3,(H2,23,28)(H,27,31);(H,6,7)
• InChIKey: LZSKBCADQAYZFB-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 152.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.90
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chloro-7-pyridin-3-ylpyrazolo[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-(4-chloro-7-pyridin-3-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 129097585) is 2-amino-N-[1-(4-chloro-7-pyridin-3-ylpyrazolo[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-(4-chloro-7-pyridin-3-ylpyrazolo[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-(4-chloro-7-pyridin-3-ylpyrazolo[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)c2ccnn2c1-c1cccnc1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-amino-N-[1-(4-chloro-7-pyridin-3-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is LZSKBCADQAYZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN8O.C2HF3O2/c1-12(27-21(31)17-19(23)28-29-9-3-7-25-20(17)29)14-10-15(22)16-5-8-26-30(16)18(14)13-4-2-6-24-11-13;3-2(4,5)1(6)7/h2-12H,1H3,(H2,23,28)(H,27,31);(H,6,7).

What are the key properties of 2-amino-N-[1-(4-chloro-7-pyridin-3-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

2-amino-N-[1-(4-chloro-7-pyridin-3-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 546.90 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-(4-chloro-7-pyridin-3-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 129097585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).