[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

C19H23N3O6 — CID 90639283

IUPAC[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(OC)c(OC)c3OC)C2)nn1
InChIInChI=1S/C19H23N3O6/c1-24-14-6-5-13(17(26-3)18(14)27-4)19(23)22-10-9-12(11-22)28-16-8-7-15(25-2)20-21-16/h5-8,12H,9-11H2,1-4H3
InChIKeyRXGOWCMFHGXNHG-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.80
Rot. Bonds7

About [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 90639283) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
PubChem CID90639283
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Name[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(OC)c(OC)c3OC)C2)nn1
InChIInChI=1S/C19H23N3O6/c1-24-14-6-5-13(17(26-3)18(14)27-4)19(23)22-10-9-12(11-22)28-16-8-7-15(25-2)20-21-16/h5-8,12H,9-11H2,1-4H3
InChIKeyRXGOWCMFHGXNHG-UHFFFAOYSA-N
XLogP1.80
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091
(2-iodophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639097
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 100632774
3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100630515
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 62069454
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639063
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 122268248
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100633287
(2,3-dimethoxyphenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163003
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91627450
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213

Frequently Asked Questions

What is the IUPAC name of [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone (CID 90639283) is [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(OC2CCN(C(=O)c3ccc(OC)c(OC)c3OC)C2)nn1.
What is the InChIKey of [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is RXGOWCMFHGXNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-24-14-6-5-13(17(26-3)18(14)27-4)19(23)22-10-9-12(11-22)28-16-8-7-15(25-2)20-21-16/h5-8,12H,9-11H2,1-4H3.
What are the key properties of [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 389.41 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 90639283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).