(5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone

C14H14ClN3O2S — CID 91627370

IUPAC(5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(Cl)s3)C2)nn1
InChIInChI=1S/C14H14ClN3O2S/c1-9-2-5-13(17-16-9)20-10-6-7-18(8-10)14(19)11-3-4-12(15)21-11/h2-5,10H,6-8H2,1H3
InChIKeyPYABXGHCEAIYEX-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.79
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 91627370) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
PubChem CID91627370
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name(5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(Cl)s3)C2)nn1
InChIInChI=1S/C14H14ClN3O2S/c1-9-2-5-13(17-16-9)20-10-6-7-18(8-10)14(19)11-3-4-12(15)21-11/h2-5,10H,6-8H2,1H3
InChIKeyPYABXGHCEAIYEX-UHFFFAOYSA-N
XLogP2.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 100625527
(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627189
(3,5-dimethoxyphenyl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626116
4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]benzonitrile
CID 100627350
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 90638686
N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638896
(3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638662
3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 91627317
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
N-cyclopentyl-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638897
[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100632006

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone (CID 91627370) is (5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)c3ccc(Cl)s3)C2)nn1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is PYABXGHCEAIYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-9-2-5-13(17-16-9)20-10-6-7-18(8-10)14(19)11-3-4-12(15)21-11/h2-5,10H,6-8H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 323.81 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 91627370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).