1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone

C20H26N4O2 — CID 154576070

IUPAC1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
SMILESCC(C)(C)c1ccc(OCC2CCN(C(=O)Cc3cccnc3)C2)nn1
InChIInChI=1S/C20H26N4O2/c1-20(2,3)17-6-7-18(23-22-17)26-14-16-8-10-24(13-16)19(25)11-15-5-4-9-21-12-15/h4-7,9,12,16H,8,10-11,13-14H2,1-3H3
InChIKeyFMVBQAQGGFOVIA-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.64
Rot. Bonds5

About 1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone

1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 154576070) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID154576070
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
SMILESCC(C)(C)c1ccc(OCC2CCN(C(=O)Cc3cccnc3)C2)nn1
InChIInChI=1S/C20H26N4O2/c1-20(2,3)17-6-7-18(23-22-17)26-14-16-8-10-24(13-16)19(25)11-15-5-4-9-21-12-15/h4-7,9,12,16H,8,10-11,13-14H2,1-3H3
InChIKeyFMVBQAQGGFOVIA-UHFFFAOYSA-N
XLogP2.64
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone 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

3-[2-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 154576053
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine
CID 154575296
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
2-(6-methyl-3-pyridinyl)-1-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401008
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45225552
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]ethanone
CID 154576140
tert-butyl 3-(2-pyridin-3-ylacetyl)pyrrolidine-1-carboxylate
CID 107092081
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone (CID 154576070) is 1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone is CC(C)(C)c1ccc(OCC2CCN(C(=O)Cc3cccnc3)C2)nn1.
What is the InChIKey of 1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is FMVBQAQGGFOVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-20(2,3)17-6-7-18(23-22-17)26-14-16-8-10-24(13-16)19(25)11-15-5-4-9-21-12-15/h4-7,9,12,16H,8,10-11,13-14H2,1-3H3.
What are the key properties of 1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 354.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 154576070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).