6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine

C18H19FN4O — CID 155960304

IUPAC6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine
SMILESCN(CC1CCNC1)c1cncc(-c2ccc3ccoc3c2F)n1
InChIInChI=1S/C18H19FN4O/c1-23(11-12-4-6-20-8-12)16-10-21-9-15(22-16)14-3-2-13-5-7-24-18(13)17(14)19/h2-3,5,7,9-10,12,20H,4,6,8,11H2,1H3
InChIKeyOADIQLOCNLEOCF-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.07
Rot. Bonds4

About 6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine

6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine (PubChem CID 155960304) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine
PubChem CID155960304
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine
SMILESCN(CC1CCNC1)c1cncc(-c2ccc3ccoc3c2F)n1
InChIInChI=1S/C18H19FN4O/c1-23(11-12-4-6-20-8-12)16-10-21-9-15(22-16)14-3-2-13-5-7-24-18(13)17(14)19/h2-3,5,7,9-10,12,20H,4,6,8,11H2,1H3
InChIKeyOADIQLOCNLEOCF-UHFFFAOYSA-N
XLogP3.07
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclobutyl-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116973542
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine
CID 112709657
N-methyl-6-phenyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116973535
N,6-dimethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 97164558
N-methyl-6-(1,3-oxazol-5-yl)-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 22560456
6-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 97164559
N-methyl-N-(piperidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642141
6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642240
N,5-dimethyl-N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-2-amine
CID 112709751
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine
CID 71642441
7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one
CID 167878983
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71642440

Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine (CID 155960304) is 6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine is CN(CC1CCNC1)c1cncc(-c2ccc3ccoc3c2F)n1.
What is the InChIKey of 6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine?
The InChIKey is OADIQLOCNLEOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-23(11-12-4-6-20-8-12)16-10-21-9-15(22-16)14-3-2-13-5-7-24-18(13)17(14)19/h2-3,5,7,9-10,12,20H,4,6,8,11H2,1H3.
What are the key properties of 6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine?
6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine has a molecular weight of 326.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 155960304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).