[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone

C19H21N5O2 — CID 90639673

IUPAC[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone
SMILESCN(C)c1ccc(OC2CCN(C(=O)c3ccc4cc[nH]c4c3)C2)nn1
InChIInChI=1S/C19H21N5O2/c1-23(2)17-5-6-18(22-21-17)26-15-8-10-24(12-15)19(25)14-4-3-13-7-9-20-16(13)11-14/h3-7,9,11,15,20H,8,10,12H2,1-2H3
InChIKeyZCLPCWOQZNJVTG-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.32
Rot. Bonds4

About [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone

[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone (PubChem CID 90639673) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone
PubChem CID90639673
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone
SMILESCN(C)c1ccc(OC2CCN(C(=O)c3ccc4cc[nH]c4c3)C2)nn1
InChIInChI=1S/C19H21N5O2/c1-23(2)17-5-6-18(22-21-17)26-15-8-10-24(12-15)19(25)14-4-3-13-7-9-20-16(13)11-14/h3-7,9,11,15,20H,8,10,12H2,1-2H3
InChIKeyZCLPCWOQZNJVTG-UHFFFAOYSA-N
XLogP2.32
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-indol-6-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627672
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100635081
1,3-benzodioxol-5-yl-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639538
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 90639726
[3,5-bis(trifluoromethyl)phenyl]-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639568
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626672
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 90639741
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90639608
(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639547
3-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100634488
3-[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100634504
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-ethoxynaphthalen-1-yl)methanone
CID 90639571

Frequently Asked Questions

What is the IUPAC name of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone?
The IUPAC name of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone (CID 90639673) is [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone.
What is the SMILES notation for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone?
The canonical SMILES for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone is CN(C)c1ccc(OC2CCN(C(=O)c3ccc4cc[nH]c4c3)C2)nn1.
What is the InChIKey of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone?
The InChIKey is ZCLPCWOQZNJVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23(2)17-5-6-18(22-21-17)26-15-8-10-24(12-15)19(25)14-4-3-13-7-9-20-16(13)11-14/h3-7,9,11,15,20H,8,10,12H2,1-2H3.
What are the key properties of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone?
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(1H-indol-6-yl)methanone is sourced from PubChem (CID 90639673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).