(4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone

C19H23FN4O2 — CID 91904394

IUPAC(4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
SMILESCCCN(C)c1nccnc1OC1CCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H23FN4O2/c1-3-11-23(2)17-18(22-10-9-21-17)26-16-8-12-24(13-16)19(25)14-4-6-15(20)7-5-14/h4-7,9-10,16H,3,8,11-13H2,1-2H3
InChIKeyMFBWAQZSCPTMFN-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.76
Rot. Bonds6

About (4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone

(4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone (PubChem CID 91904394) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
PubChem CID91904394
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name(4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
SMILESCCCN(C)c1nccnc1OC1CCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H23FN4O2/c1-3-11-23(2)17-18(22-10-9-21-17)26-16-8-12-24(13-16)19(25)14-4-6-15(20)7-5-14/h4-7,9-10,16H,3,8,11-13H2,1-2H3
InChIKeyMFBWAQZSCPTMFN-UHFFFAOYSA-N
XLogP2.76
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone (CID 91904394) is (4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone is CCCN(C)c1nccnc1OC1CCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The InChIKey is MFBWAQZSCPTMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-3-11-23(2)17-18(22-10-9-21-17)26-16-8-12-24(13-16)19(25)14-4-6-15(20)7-5-14/h4-7,9-10,16H,3,8,11-13H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
(4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone has a molecular weight of 358.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 91904394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).