2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol

C23H24N4O2 — CID 129110807

IUPAC2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol
SMILESCCC(NCCO)c1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2c1
InChIInChI=1S/C23H24N4O2/c1-2-21(24-11-12-28)18-4-3-17-14-20(7-5-16(17)13-18)29-23-8-6-19(15-25-23)22-9-10-26-27-22/h3-10,13-15,21,24,28H,2,11-12H2,1H3,(H,26,27)
InChIKeyIRZBADCUFODQAA-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.45
Rot. Bonds8

About 2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol

2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol (PubChem CID 129110807) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol.

Molecular Properties

Compound Name2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol
PubChem CID129110807
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol
SMILESCCC(NCCO)c1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2c1
InChIInChI=1S/C23H24N4O2/c1-2-21(24-11-12-28)18-4-3-17-14-20(7-5-16(17)13-18)29-23-8-6-19(15-25-23)22-9-10-26-27-22/h3-10,13-15,21,24,28H,2,11-12H2,1H3,(H,26,27)
InChIKeyIRZBADCUFODQAA-UHFFFAOYSA-N
XLogP4.45
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol?
The IUPAC name of 2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol (CID 129110807) is 2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol.
What is the SMILES notation for 2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol?
The canonical SMILES for 2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol is CCC(NCCO)c1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2c1.
What is the InChIKey of 2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol?
The InChIKey is IRZBADCUFODQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-2-21(24-11-12-28)18-4-3-17-14-20(7-5-16(17)13-18)29-23-8-6-19(15-25-23)22-9-10-26-27-22/h3-10,13-15,21,24,28H,2,11-12H2,1H3,(H,26,27).
What are the key properties of 2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol?
2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol has a molecular weight of 388.47 g/mol, XLogP of 4.45, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]propylamino]ethanol is sourced from PubChem (CID 129110807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).