[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone

C24H24N4O3 — CID 90639617

IUPAC[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone
SMILESCN(C)c1ccc(OC2CCN(C(=O)C3c4ccccc4Oc4ccccc43)C2)nn1
InChIInChI=1S/C24H24N4O3/c1-27(2)21-11-12-22(26-25-21)30-16-13-14-28(15-16)24(29)23-17-7-3-5-9-19(17)31-20-10-6-4-8-18(20)23/h3-12,16,23H,13-15H2,1-2H3
InChIKeyHJOJYIBWLUTVRQ-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.46
Rot. Bonds4

About [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone

[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone (PubChem CID 90639617) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Name[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone
PubChem CID90639617
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone
SMILESCN(C)c1ccc(OC2CCN(C(=O)C3c4ccccc4Oc4ccccc43)C2)nn1
InChIInChI=1S/C24H24N4O3/c1-27(2)21-11-12-22(26-25-21)30-16-13-14-28(15-16)24(29)23-17-7-3-5-9-19(17)31-20-10-6-4-8-18(20)23/h3-12,16,23H,13-15H2,1-2H3
InChIKeyHJOJYIBWLUTVRQ-UHFFFAOYSA-N
XLogP3.46
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639547
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 100637237
N-benzyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 91627623
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627626
N-tert-butyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639762
1-[(3S)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 100636242
1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 90639732
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90639772
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90639490
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90639768
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100635081
(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 100637128

Frequently Asked Questions

What is the IUPAC name of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone?
The IUPAC name of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone (CID 90639617) is [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone.
What is the SMILES notation for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone?
The canonical SMILES for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone is CN(C)c1ccc(OC2CCN(C(=O)C3c4ccccc4Oc4ccccc43)C2)nn1.
What is the InChIKey of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone?
The InChIKey is HJOJYIBWLUTVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-27(2)21-11-12-22(26-25-21)30-16-13-14-28(15-16)24(29)23-17-7-3-5-9-19(17)31-20-10-6-4-8-18(20)23/h3-12,16,23H,13-15H2,1-2H3.
What are the key properties of [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone?
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone has a molecular weight of 416.48 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 90639617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).