3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine

C25H28N4O — CID 51357599

IUPAC3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine
SMILESNc1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCCCC1
InChIInChI=1S/C25H28N4O/c26-22-10-11-24-23(17-22)25(27-29(24)15-14-28-12-4-1-5-13-28)30-18-19-8-9-20-6-2-3-7-21(20)16-19/h2-3,6-11,16-17H,1,4-5,12-15,18,26H2
InChIKeyBOMFDVKNDSZEQA-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.84
Rot. Bonds6

About 3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine

3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine (PubChem CID 51357599) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine
PubChem CID51357599
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine
SMILESNc1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCCCC1
InChIInChI=1S/C25H28N4O/c26-22-10-11-24-23(17-22)25(27-29(24)15-14-28-12-4-1-5-13-28)30-18-19-8-9-20-6-2-3-7-21(20)16-19/h2-3,6-11,16-17H,1,4-5,12-15,18,26H2
InChIKeyBOMFDVKNDSZEQA-UHFFFAOYSA-N
XLogP4.84
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine?
The IUPAC name of 3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine (CID 51357599) is 3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine.
What is the SMILES notation for 3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine?
The canonical SMILES for 3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine is Nc1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCCCC1.
What is the InChIKey of 3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine?
The InChIKey is BOMFDVKNDSZEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c26-22-10-11-24-23(17-22)25(27-29(24)15-14-28-12-4-1-5-13-28)30-18-19-8-9-20-6-2-3-7-21(20)16-19/h2-3,6-11,16-17H,1,4-5,12-15,18,26H2.
What are the key properties of 3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine?
3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine has a molecular weight of 400.53 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethoxy)-1-(2-piperidin-1-ylethyl)indazol-5-amine is sourced from PubChem (CID 51357599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).