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

C19H21N3O3 — CID 91627417

IUPAC3,4-dihydro-1H-isochromen-1-yl-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)C3OCCc4ccccc43)C2)nn1
InChIInChI=1S/C19H21N3O3/c1-13-6-7-17(21-20-13)25-15-8-10-22(12-15)19(23)18-16-5-3-2-4-14(16)9-11-24-18/h2-7,15,18H,8-12H2,1H3
InChIKeyMFVSCWDFDTYRRC-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.08
Rot. Bonds3

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

3,4-dihydro-1H-isochromen-1-yl-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 91627417) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-1-yl-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-1-yl-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
PubChem CID91627417
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3,4-dihydro-1H-isochromen-1-yl-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)C3OCCc4ccccc43)C2)nn1
InChIInChI=1S/C19H21N3O3/c1-13-6-7-17(21-20-13)25-15-8-10-22(12-15)19(23)18-16-5-3-2-4-14(16)9-11-24-18/h2-7,15,18H,8-12H2,1H3
InChIKeyMFVSCWDFDTYRRC-UHFFFAOYSA-N
XLogP2.08
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-1-yl-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isochromen-1-yl-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone (CID 91627417) is 3,4-dihydro-1H-isochromen-1-yl-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-1-yl-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isochromen-1-yl-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)C3OCCc4ccccc43)C2)nn1.
What is the InChIKey of 3,4-dihydro-1H-isochromen-1-yl-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is MFVSCWDFDTYRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-6-7-17(21-20-13)25-15-8-10-22(12-15)19(23)18-16-5-3-2-4-14(16)9-11-24-18/h2-7,15,18H,8-12H2,1H3.
What are the key properties of 3,4-dihydro-1H-isochromen-1-yl-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
3,4-dihydro-1H-isochromen-1-yl-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromen-1-yl-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 91627417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).