[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

C19H17FN4O2 — CID 90636217

IUPAC[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C19H17FN4O2/c20-15-3-1-13(2-4-15)14-9-17(23-10-14)19(25)24-8-5-16(12-24)26-18-11-21-6-7-22-18/h1-4,6-7,9-11,16,23H,5,8,12H2
InChIKeyRHPJUBOAXJFVEN-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.90
Rot. Bonds4

About [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 90636217) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID90636217
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C19H17FN4O2/c20-15-3-1-13(2-4-15)14-9-17(23-10-14)19(25)24-8-5-16(12-24)26-18-11-21-6-7-22-18/h1-4,6-7,9-11,16,23H,5,8,12H2
InChIKeyRHPJUBOAXJFVEN-UHFFFAOYSA-N
XLogP2.90
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257413
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626672
2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 90636191
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone
CID 121160936
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163177
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
(2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753127
2-(4-fluorophenyl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 90559036
(2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90559064

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (CID 90636217) is [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is RHPJUBOAXJFVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-15-3-1-13(2-4-15)14-9-17(23-10-14)19(25)24-8-5-16(12-24)26-18-11-21-6-7-22-18/h1-4,6-7,9-11,16,23H,5,8,12H2.
What are the key properties of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 352.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 90636217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).