1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone

C18H18N4O2 — CID 100625464

IUPAC1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCc1ccc(O[C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)nn1
InChIInChI=1S/C18H18N4O2/c1-12-6-7-17(21-20-12)24-14-8-9-22(11-14)18(23)16-10-13-4-2-3-5-15(13)19-16/h2-7,10,14,19H,8-9,11H2,1H3/t14-/m0/s1
InChIKeyLYMXZUNKILKSIM-AWEZNQCLSA-N
MW322.37 g/mol
LogP2.56
Rot. Bonds3

About 1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone

1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 100625464) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
PubChem CID100625464
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCc1ccc(O[C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)nn1
InChIInChI=1S/C18H18N4O2/c1-12-6-7-17(21-20-12)24-14-8-9-22(11-14)18(23)16-10-13-4-2-3-5-15(13)19-16/h2-7,10,14,19H,8-9,11H2,1H3/t14-/m0/s1
InChIKeyLYMXZUNKILKSIM-AWEZNQCLSA-N
XLogP2.56
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620291
1H-indol-6-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627672
1H-indol-3-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626807
1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260670
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
(3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638662
(3,5-dimethoxyphenyl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626116
(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627189
1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250203
1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100644461
3-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626740
[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 100625527

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone (CID 100625464) is 1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone is Cc1ccc(O[C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)nn1.
What is the InChIKey of 1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is LYMXZUNKILKSIM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-6-7-17(21-20-12)24-14-8-9-22(11-14)18(23)16-10-13-4-2-3-5-15(13)19-16/h2-7,10,14,19H,8-9,11H2,1H3/t14-/m0/s1.
What are the key properties of 1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 322.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 100625464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).