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

C14H17FN4O — CID 24968123

IUPAC5-fluoro-2-(1-methylpiperidin-3-yl)indazole-7-carboxamide
SMILESCN1CCCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1
InChIInChI=1S/C14H17FN4O/c1-18-4-2-3-11(8-18)19-7-9-5-10(15)6-12(14(16)20)13(9)17-19/h5-7,11H,2-4,8H2,1H3,(H2,16,20)
InChIKeyMERFKGXARLTHIL-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.54
Rot. Bonds2

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

5-fluoro-2-(1-methylpiperidin-3-yl)indazole-7-carboxamide (PubChem CID 24968123) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-fluoro-2-(1-methylpiperidin-3-yl)indazole-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(1-methylpiperidin-3-yl)indazole-7-carboxamide
PubChem CID24968123
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name5-fluoro-2-(1-methylpiperidin-3-yl)indazole-7-carboxamide
SMILESCN1CCCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1
InChIInChI=1S/C14H17FN4O/c1-18-4-2-3-11(8-18)19-7-9-5-10(15)6-12(14(16)20)13(9)17-19/h5-7,11H,2-4,8H2,1H3,(H2,16,20)
InChIKeyMERFKGXARLTHIL-UHFFFAOYSA-N
XLogP1.54
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.54
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-methylpiperidin-3-yl)indazole-7-carboxamide?
The IUPAC name of 5-fluoro-2-(1-methylpiperidin-3-yl)indazole-7-carboxamide (CID 24968123) is 5-fluoro-2-(1-methylpiperidin-3-yl)indazole-7-carboxamide.
What is the SMILES notation for 5-fluoro-2-(1-methylpiperidin-3-yl)indazole-7-carboxamide?
The canonical SMILES for 5-fluoro-2-(1-methylpiperidin-3-yl)indazole-7-carboxamide is CN1CCCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1.
What is the InChIKey of 5-fluoro-2-(1-methylpiperidin-3-yl)indazole-7-carboxamide?
The InChIKey is MERFKGXARLTHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-18-4-2-3-11(8-18)19-7-9-5-10(15)6-12(14(16)20)13(9)17-19/h5-7,11H,2-4,8H2,1H3,(H2,16,20).
What are the key properties of 5-fluoro-2-(1-methylpiperidin-3-yl)indazole-7-carboxamide?
5-fluoro-2-(1-methylpiperidin-3-yl)indazole-7-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methylpiperidin-3-yl)indazole-7-carboxamide is sourced from PubChem (CID 24968123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).