5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate

C15H16F4N4O3 — CID 67339786

IUPAC5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate
SMILESNC(=O)c1cc(F)cc2cn(C3CC[NH2+]CC3)nc12.O=C([O-])C(F)(F)F
InChIInChI=1S/C13H15FN4O.C2HF3O2/c14-9-5-8-7-18(10-1-3-16-4-2-10)17-12(8)11(6-9)13(15)19;3-2(4,5)1(6)7/h5-7,10,16H,1-4H2,(H2,15,19);(H,6,7)
InChIKeyWCWULPBCIKUUSP-UHFFFAOYSA-N
MW376.31 g/mol
LogP-0.53
Rot. Bonds2

About 5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate

5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate (PubChem CID 67339786) has the molecular formula C15H16F4N4O3 and a molecular weight of 376.31 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate
PubChem CID67339786
Molecular FormulaC15H16F4N4O3
Molecular Weight376.31 g/mol
Exact Mass376.12
IUPAC Name5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate
SMILESNC(=O)c1cc(F)cc2cn(C3CC[NH2+]CC3)nc12.O=C([O-])C(F)(F)F
InChIInChI=1S/C13H15FN4O.C2HF3O2/c14-9-5-8-7-18(10-1-3-16-4-2-10)17-12(8)11(6-9)13(15)19;3-2(4,5)1(6)7/h5-7,10,16H,1-4H2,(H2,15,19);(H,6,7)
InChIKeyWCWULPBCIKUUSP-UHFFFAOYSA-N
XLogP-0.53
TPSA117.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate?
The IUPAC name of 5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate (CID 67339786) is 5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate.
What is the SMILES notation for 5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate?
The canonical SMILES for 5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate is NC(=O)c1cc(F)cc2cn(C3CC[NH2+]CC3)nc12.O=C([O-])C(F)(F)F.
What is the InChIKey of 5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate?
The InChIKey is WCWULPBCIKUUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O.C2HF3O2/c14-9-5-8-7-18(10-1-3-16-4-2-10)17-12(8)11(6-9)13(15)19;3-2(4,5)1(6)7/h5-7,10,16H,1-4H2,(H2,15,19);(H,6,7).
What are the key properties of 5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate?
5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate has a molecular weight of 376.31 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate is sourced from PubChem (CID 67339786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).