4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine

C13H17FN4O — CID 126695916

IUPAC4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine
SMILESNc1n[nH]c2cc(OCC3CCCNC3)cc(F)c12
InChIInChI=1S/C13H17FN4O/c14-10-4-9(5-11-12(10)13(15)18-17-11)19-7-8-2-1-3-16-6-8/h4-5,8,16H,1-3,6-7H2,(H3,15,17,18)
InChIKeyDPQINDAZONHOQI-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.66
Rot. Bonds3

About 4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine

4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine (PubChem CID 126695916) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine.

Molecular Properties

Compound Name4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine
PubChem CID126695916
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine
SMILESNc1n[nH]c2cc(OCC3CCCNC3)cc(F)c12
InChIInChI=1S/C13H17FN4O/c14-10-4-9(5-11-12(10)13(15)18-17-11)19-7-8-2-1-3-16-6-8/h4-5,8,16H,1-3,6-7H2,(H3,15,17,18)
InChIKeyDPQINDAZONHOQI-UHFFFAOYSA-N
XLogP1.66
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine?
The IUPAC name of 4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine (CID 126695916) is 4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine.
What is the SMILES notation for 4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine?
The canonical SMILES for 4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine is Nc1n[nH]c2cc(OCC3CCCNC3)cc(F)c12.
What is the InChIKey of 4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine?
The InChIKey is DPQINDAZONHOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c14-10-4-9(5-11-12(10)13(15)18-17-11)19-7-8-2-1-3-16-6-8/h4-5,8,16H,1-3,6-7H2,(H3,15,17,18).
What are the key properties of 4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine?
4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine has a molecular weight of 264.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(piperidin-3-ylmethoxy)-1H-indazol-3-amine is sourced from PubChem (CID 126695916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).