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

C25H25ClF6N8O5 — CID 129097454

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

2-amino-N-[1-[8-chloro-5-[(2S)-2-methylpyrrolidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 129097454) has the molecular formula C25H25ClF6N8O5 and a molecular weight of 666.97 g/mol. Its IUPAC name is 2-amino-N-[1-[8-chloro-5-[(2S)-2-methylpyrrolidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 2-amino-N-[1-[8-chloro-5-[(2S)-2-methylpyrrolidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 129097454
• Molecular Formula: C25H25ClF6N8O5
• Molecular Weight: 666.97 g/mol
• Exact Mass: 666.15
• IUPAC Name: 2-amino-N-[1-[8-chloro-5-[(2S)-2-methylpyrrolidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCC[C@@H]1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H23ClN8O.2C2HF3O2/c1-12-5-3-7-28(12)21-14(9-15(22)16-10-24-11-29(16)21)13(2)26-20(31)17-18(23)27-30-8-4-6-25-19(17)30;2*3-2(4,5)1(6)7/h4,6,8-13H,3,5,7H2,1-2H3,(H2,23,27)(H,26,31);2*(H,6,7)/t12-,13?;;/m0../s1
• InChIKey: OYJDIRNLYLRZBH-IYPRWPFWSA-N
• XLogP: 4.36
• TPSA: 180.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	666.97
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-amino-N-[1-[8-chloro-5-[(2S)-2-methylpyrrolidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 129097454) is 2-amino-N-[1-[8-chloro-5-[(2S)-2-methylpyrrolidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 2-amino-N-[1-[8-chloro-5-[(2S)-2-methylpyrrolidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCC[C@@H]1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is OYJDIRNLYLRZBH-IYPRWPFWSA-N. The full InChI is InChI=1S/C21H23ClN8O.2C2HF3O2/c1-12-5-3-7-28(12)21-14(9-15(22)16-10-24-11-29(16)21)13(2)26-20(31)17-18(23)27-30-8-4-6-25-19(17)30;2*3-2(4,5)1(6)7/h4,6,8-13H,3,5,7H2,1-2H3,(H2,23,27)(H,26,31);2*(H,6,7)/t12-,13?;;/m0../s1.

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

2-amino-N-[1-[8-chloro-5-[(2S)-2-methylpyrrolidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 666.97 g/mol, XLogP of 4.36, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[8-chloro-5-[(2S)-2-methylpyrrolidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 129097454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).