5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide

C16H21FN4O — CID 24968125

IUPAC5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide
SMILESCCCN1CCCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1
InChIInChI=1S/C16H21FN4O/c1-2-5-20-6-3-4-13(10-20)21-9-11-7-12(17)8-14(16(18)22)15(11)19-21/h7-9,13H,2-6,10H2,1H3,(H2,18,22)
InChIKeyRISOMYXNPCKGLJ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.32
Rot. Bonds4

About 5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide

5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide (PubChem CID 24968125) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide
PubChem CID24968125
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide
SMILESCCCN1CCCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1
InChIInChI=1S/C16H21FN4O/c1-2-5-20-6-3-4-13(10-20)21-9-11-7-12(17)8-14(16(18)22)15(11)19-21/h7-9,13H,2-6,10H2,1H3,(H2,18,22)
InChIKeyRISOMYXNPCKGLJ-UHFFFAOYSA-N
XLogP2.32
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide?
The IUPAC name of 5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide (CID 24968125) is 5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide.
What is the SMILES notation for 5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide?
The canonical SMILES for 5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide is CCCN1CCCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1.
What is the InChIKey of 5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide?
The InChIKey is RISOMYXNPCKGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-2-5-20-6-3-4-13(10-20)21-9-11-7-12(17)8-14(16(18)22)15(11)19-21/h7-9,13H,2-6,10H2,1H3,(H2,18,22).
What are the key properties of 5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide?
5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-propylpiperidin-3-yl)indazole-7-carboxamide is sourced from PubChem (CID 24968125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).