(5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone

C18H20ClN3O2 — CID 166269754

IUPAC(5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
SMILESCCCOc1ccc(Cl)cc1C(=O)N1CCC(c2cnccn2)C1
InChIInChI=1S/C18H20ClN3O2/c1-2-9-24-17-4-3-14(19)10-15(17)18(23)22-8-5-13(12-22)16-11-20-6-7-21-16/h3-4,6-7,10-11,13H,2,5,8-9,12H2,1H3
InChIKeyUFKKISCQTVVFSQ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.55
Rot. Bonds5

About (5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone

(5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 166269754) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is (5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
PubChem CID166269754
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name(5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
SMILESCCCOc1ccc(Cl)cc1C(=O)N1CCC(c2cnccn2)C1
InChIInChI=1S/C18H20ClN3O2/c1-2-9-24-17-4-3-14(19)10-15(17)18(23)22-8-5-13(12-22)16-11-20-6-7-21-16/h3-4,6-7,10-11,13H,2,5,8-9,12H2,1H3
InChIKeyUFKKISCQTVVFSQ-UHFFFAOYSA-N
XLogP3.55
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71973264
(3S)-1-(5-chloro-2-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119173685
1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 71977674
(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 125003943
(5-chloro-2-propoxyphenyl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119414568
(3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
CID 136561624
(3S)-1-[5-chloro-2-(2-methoxyethoxy)benzoyl]piperidine-3-carboxylic acid
CID 120684515
(5-chloro-2-propoxyphenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 71977744
1-[4-[4-chloro-2-(3-propoxypiperidine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
CID 45202036
[5-chloro-2-(2-methoxyethoxy)phenyl]-[(3S)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124686339
[2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone
CID 126444298
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone (CID 166269754) is (5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone is CCCOc1ccc(Cl)cc1C(=O)N1CCC(c2cnccn2)C1.
What is the InChIKey of (5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is UFKKISCQTVVFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-2-9-24-17-4-3-14(19)10-15(17)18(23)22-8-5-13(12-22)16-11-20-6-7-21-16/h3-4,6-7,10-11,13H,2,5,8-9,12H2,1H3.
What are the key properties of (5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone?
(5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 345.83 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 166269754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).