(2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone

C19H19N3O2 — CID 125007396

IUPAC(2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1cncc([C@@H]2CCCN2C(=O)c2ccc3oc(C)cc3c2)n1
InChIInChI=1S/C19H19N3O2/c1-12-10-20-11-16(21-12)17-4-3-7-22(17)19(23)14-5-6-18-15(9-14)8-13(2)24-18/h5-6,8-11,17H,3-4,7H2,1-2H3/t17-/m0/s1
InChIKeyUNDJFGKIMXUGLW-KRWDZBQOSA-N
MW321.38 g/mol
LogP3.82
Rot. Bonds2

About (2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone

(2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 125007396) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID125007396
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1cncc([C@@H]2CCCN2C(=O)c2ccc3oc(C)cc3c2)n1
InChIInChI=1S/C19H19N3O2/c1-12-10-20-11-16(21-12)17-4-3-7-22(17)19(23)14-5-6-18-15(9-14)8-13(2)24-18/h5-6,8-11,17H,3-4,7H2,1-2H3/t17-/m0/s1
InChIKeyUNDJFGKIMXUGLW-KRWDZBQOSA-N
XLogP3.82
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95816160
1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 110114137
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 97149553
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95873622
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95873621
2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124976327
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 110114134
2-(6-methyl-1-benzofuran-3-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 124957195
1,3-benzodioxol-5-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 175652539
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 124966275
3-methyl-5-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 124991358
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124997340

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone (CID 125007396) is (2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone is Cc1cncc([C@@H]2CCCN2C(=O)c2ccc3oc(C)cc3c2)n1.
What is the InChIKey of (2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is UNDJFGKIMXUGLW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-10-20-11-16(21-12)17-4-3-7-22(17)19(23)14-5-6-18-15(9-14)8-13(2)24-18/h5-6,8-11,17H,3-4,7H2,1-2H3/t17-/m0/s1.
What are the key properties of (2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone?
(2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125007396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).