(2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone

C19H22F2N4O2 — CID 91914218

IUPAC(2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
SMILESCCCN(C)c1nccnc1OC1CCN(C(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C19H22F2N4O2/c1-3-10-24(2)17-18(23-9-8-22-17)27-13-7-11-25(12-13)19(26)16-14(20)5-4-6-15(16)21/h4-6,8-9,13H,3,7,10-12H2,1-2H3
InChIKeyMEACQTSBKNRGGG-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.89
Rot. Bonds6

About (2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone

(2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone (PubChem CID 91914218) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
PubChem CID91914218
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name(2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
SMILESCCCN(C)c1nccnc1OC1CCN(C(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C19H22F2N4O2/c1-3-10-24(2)17-18(23-9-8-22-17)27-13-7-11-25(12-13)19(26)16-14(20)5-4-6-15(16)21/h4-6,8-9,13H,3,7,10-12H2,1-2H3
InChIKeyMEACQTSBKNRGGG-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone (CID 91914218) is (2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone is CCCN(C)c1nccnc1OC1CCN(C(=O)c2c(F)cccc2F)C1.
What is the InChIKey of (2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
The InChIKey is MEACQTSBKNRGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-3-10-24(2)17-18(23-9-8-22-17)27-13-7-11-25(12-13)19(26)16-14(20)5-4-6-15(16)21/h4-6,8-9,13H,3,7,10-12H2,1-2H3.
What are the key properties of (2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone?
(2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone has a molecular weight of 376.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 91914218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).