6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide

C14H16BrFN4O — CID 89322750

IUPAC6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide
SMILESO=C(c1n[nH]c2cc(Br)ccc12)N(F)C[C@@H]1CCCCN1
InChIInChI=1S/C14H16BrFN4O/c15-9-4-5-11-12(7-9)18-19-13(11)14(21)20(16)8-10-3-1-2-6-17-10/h4-5,7,10,17H,1-3,6,8H2,(H,18,19)/t10-/m0/s1
InChIKeyOISQVNQOMNNDIE-JTQLQIEISA-N
MW355.21 g/mol
LogP2.79
Rot. Bonds3

About 6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide

6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 89322750) has the molecular formula C14H16BrFN4O and a molecular weight of 355.21 g/mol. Its IUPAC name is 6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID89322750
Molecular FormulaC14H16BrFN4O
Molecular Weight355.21 g/mol
Exact Mass354.05
IUPAC Name6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide
SMILESO=C(c1n[nH]c2cc(Br)ccc12)N(F)C[C@@H]1CCCCN1
InChIInChI=1S/C14H16BrFN4O/c15-9-4-5-11-12(7-9)18-19-13(11)14(21)20(16)8-10-3-1-2-6-17-10/h4-5,7,10,17H,1-3,6,8H2,(H,18,19)/t10-/m0/s1
InChIKeyOISQVNQOMNNDIE-JTQLQIEISA-N
XLogP2.79
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide (CID 89322750) is 6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide is O=C(c1n[nH]c2cc(Br)ccc12)N(F)C[C@@H]1CCCCN1.
What is the InChIKey of 6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is OISQVNQOMNNDIE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16BrFN4O/c15-9-4-5-11-12(7-9)18-19-13(11)14(21)20(16)8-10-3-1-2-6-17-10/h4-5,7,10,17H,1-3,6,8H2,(H,18,19)/t10-/m0/s1.
What are the key properties of 6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide?
6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 355.21 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-fluoro-N-[[(2S)-piperidin-2-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89322750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).