2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid

C15H17F3N4O3 — CID 171925444

IUPAC2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1cccc2cn(C3CCCNC3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16N4O.C2HF3O2/c14-13(18)11-5-1-3-9-8-17(16-12(9)11)10-4-2-6-15-7-10;3-2(4,5)1(6)7/h1,3,5,8,10,15H,2,4,6-7H2,(H2,14,18);(H,6,7)
InChIKeyJQKMNDQEIYQUJU-UHFFFAOYSA-N
MW358.32 g/mol
LogP1.69
Rot. Bonds2

About 2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid

2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171925444) has the molecular formula C15H17F3N4O3 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171925444
Molecular FormulaC15H17F3N4O3
Molecular Weight358.32 g/mol
Exact Mass358.13
IUPAC Name2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1cccc2cn(C3CCCNC3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16N4O.C2HF3O2/c14-13(18)11-5-1-3-9-8-17(16-12(9)11)10-4-2-6-15-7-10;3-2(4,5)1(6)7/h1,3,5,8,10,15H,2,4,6-7H2,(H2,14,18);(H,6,7)
InChIKeyJQKMNDQEIYQUJU-UHFFFAOYSA-N
XLogP1.69
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid (CID 171925444) is 2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1cccc2cn(C3CCCNC3)nc12.O=C(O)C(F)(F)F.
What is the InChIKey of 2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JQKMNDQEIYQUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.C2HF3O2/c14-13(18)11-5-1-3-9-8-17(16-12(9)11)10-4-2-6-15-7-10;3-2(4,5)1(6)7/h1,3,5,8,10,15H,2,4,6-7H2,(H2,14,18);(H,6,7).
What are the key properties of 2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid?
2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 358.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171925444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).