4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine

C17H24N4O2 — CID 142526707

IUPAC4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine
SMILESNCCCCOc1ccc(-c2ccnn2C2CCCCO2)nc1
InChIInChI=1S/C17H24N4O2/c18-9-2-4-11-22-14-6-7-15(19-13-14)16-8-10-20-21(16)17-5-1-3-12-23-17/h6-8,10,13,17H,1-5,9,11-12,18H2
InChIKeyWKTMKKNVGQGNGL-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.76
Rot. Bonds7

About 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine

4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine (PubChem CID 142526707) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine.

Molecular Properties

Compound Name4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine
PubChem CID142526707
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine
SMILESNCCCCOc1ccc(-c2ccnn2C2CCCCO2)nc1
InChIInChI=1S/C17H24N4O2/c18-9-2-4-11-22-14-6-7-15(19-13-14)16-8-10-20-21(16)17-5-1-3-12-23-17/h6-8,10,13,17H,1-5,9,11-12,18H2
InChIKeyWKTMKKNVGQGNGL-UHFFFAOYSA-N
XLogP2.76
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360539
ethyl 2-methyl-2-[7-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]heptoxy]propanoate
CID 142527020
bis[3-carbamoyl-7-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]heptan-2-yl] carbonate
CID 146658429
N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide
CID 142526681
4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde
CID 142526728
5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 155658227
3-amino-1-[(3R)-3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]piperidin-1-yl]propan-1-one
CID 130360188
5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360847
2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol
CID 142526925
N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide
CID 137364312
N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide
CID 137364349
methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate
CID 142527037

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine?
The IUPAC name of 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine (CID 142526707) is 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine.
What is the SMILES notation for 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine?
The canonical SMILES for 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine is NCCCCOc1ccc(-c2ccnn2C2CCCCO2)nc1.
What is the InChIKey of 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine?
The InChIKey is WKTMKKNVGQGNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c18-9-2-4-11-22-14-6-7-15(19-13-14)16-8-10-20-21(16)17-5-1-3-12-23-17/h6-8,10,13,17H,1-5,9,11-12,18H2.
What are the key properties of 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine?
4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine has a molecular weight of 316.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine is sourced from PubChem (CID 142526707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).