2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone

C15H10F3N7O — CID 134192146

IUPAC2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone
SMILESCc1nn(C(=O)C(F)(F)F)c2ccc(Nc3[nH]nc4nccnc34)cc12
InChIInChI=1S/C15H10F3N7O/c1-7-9-6-8(21-13-11-12(22-23-13)20-5-4-19-11)2-3-10(9)25(24-7)14(26)15(16,17)18/h2-6H,1H3,(H2,20,21,22,23)
InChIKeyIVPNSFGLYSDQHQ-UHFFFAOYSA-N
MW361.29 g/mol
LogP2.96
Rot. Bonds2

About 2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone

2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone (PubChem CID 134192146) has the molecular formula C15H10F3N7O and a molecular weight of 361.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone
PubChem CID134192146
Molecular FormulaC15H10F3N7O
Molecular Weight361.29 g/mol
Exact Mass361.09
IUPAC Name2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone
SMILESCc1nn(C(=O)C(F)(F)F)c2ccc(Nc3[nH]nc4nccnc34)cc12
InChIInChI=1S/C15H10F3N7O/c1-7-9-6-8(21-13-11-12(22-23-13)20-5-4-19-11)2-3-10(9)25(24-7)14(26)15(16,17)18/h2-6H,1H3,(H2,20,21,22,23)
InChIKeyIVPNSFGLYSDQHQ-UHFFFAOYSA-N
XLogP2.96
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone (CID 134192146) is 2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone is Cc1nn(C(=O)C(F)(F)F)c2ccc(Nc3[nH]nc4nccnc34)cc12.
What is the InChIKey of 2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone?
The InChIKey is IVPNSFGLYSDQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N7O/c1-7-9-6-8(21-13-11-12(22-23-13)20-5-4-19-11)2-3-10(9)25(24-7)14(26)15(16,17)18/h2-6H,1H3,(H2,20,21,22,23).
What are the key properties of 2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone?
2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone has a molecular weight of 361.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-methyl-5-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)indazol-1-yl]ethanone is sourced from PubChem (CID 134192146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).