3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone

C19H21N3O4 — CID 90639291

IUPAC3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCOc1ccc(OC2CCN(C(=O)C3Cc4ccccc4CO3)C2)nn1
InChIInChI=1S/C19H21N3O4/c1-24-17-6-7-18(21-20-17)26-15-8-9-22(11-15)19(23)16-10-13-4-2-3-5-14(13)12-25-16/h2-7,15-16H,8-12H2,1H3
InChIKeyHIUBBQJPMHLRSH-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.61
Rot. Bonds4

About 3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone

3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 90639291) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
PubChem CID90639291
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCOc1ccc(OC2CCN(C(=O)C3Cc4ccccc4CO3)C2)nn1
InChIInChI=1S/C19H21N3O4/c1-24-17-6-7-18(21-20-17)26-15-8-9-22(11-15)19(23)16-10-13-4-2-3-5-14(13)12-25-16/h2-7,15-16H,8-12H2,1H3
InChIKeyHIUBBQJPMHLRSH-UHFFFAOYSA-N
XLogP1.61
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydro-1H-isochromen-3-yl-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91626972
[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
CID 100619286
3,4-dihydro-1H-isochromen-3-yl-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260487
[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100647150
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 91627512
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627533
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone
CID 90639146
(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 91627534
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91627450

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone (CID 90639291) is 3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone is COc1ccc(OC2CCN(C(=O)C3Cc4ccccc4CO3)C2)nn1.
What is the InChIKey of 3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is HIUBBQJPMHLRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-24-17-6-7-18(21-20-17)26-15-8-9-22(11-15)19(23)16-10-13-4-2-3-5-14(13)12-25-16/h2-7,15-16H,8-12H2,1H3.
What are the key properties of 3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 355.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromen-3-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 90639291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).