5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid

C17H20F4N4O3 — CID 171925440

IUPAC5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19FN4O.C2HF3O2/c1-9(2)19-4-3-12(8-19)20-7-10-5-11(16)6-13(15(17)21)14(10)18-20;3-2(4,5)1(6)7/h5-7,9,12H,3-4,8H2,1-2H3,(H2,17,21);(H,6,7)
InChIKeyQEHFROUSTKKNRQ-UHFFFAOYSA-N
MW404.36 g/mol
LogP2.56
Rot. Bonds3

About 5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid

5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171925440) has the molecular formula C17H20F4N4O3 and a molecular weight of 404.36 g/mol. Its IUPAC name is 5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171925440
Molecular FormulaC17H20F4N4O3
Molecular Weight404.36 g/mol
Exact Mass404.15
IUPAC Name5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19FN4O.C2HF3O2/c1-9(2)19-4-3-12(8-19)20-7-10-5-11(16)6-13(15(17)21)14(10)18-20;3-2(4,5)1(6)7/h5-7,9,12H,3-4,8H2,1-2H3,(H2,17,21);(H,6,7)
InChIKeyQEHFROUSTKKNRQ-UHFFFAOYSA-N
XLogP2.56
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid (CID 171925440) is 5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid is CC(C)N1CCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is QEHFROUSTKKNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O.C2HF3O2/c1-9(2)19-4-3-12(8-19)20-7-10-5-11(16)6-13(15(17)21)14(10)18-20;3-2(4,5)1(6)7/h5-7,9,12H,3-4,8H2,1-2H3,(H2,17,21);(H,6,7).
What are the key properties of 5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 404.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171925440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).