1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

C16H24N4O — CID 98759002

IUPAC1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cnc(C)cn1
InChIInChI=1S/C16H24N4O/c1-12-9-18-14(10-17-12)11-19-7-3-5-15(19)16-6-4-8-20(16)13(2)21/h9-10,15-16H,3-8,11H2,1-2H3/t15-,16+/m0/s1
InChIKeyRYFBXIFVWJGKAM-JKSUJKDBSA-N
MW288.39 g/mol
LogP1.76
Rot. Bonds3

About 1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 98759002) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID98759002
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cnc(C)cn1
InChIInChI=1S/C16H24N4O/c1-12-9-18-14(10-17-12)11-19-7-3-5-15(19)16-6-4-8-20(16)13(2)21/h9-10,15-16H,3-8,11H2,1-2H3/t15-,16+/m0/s1
InChIKeyRYFBXIFVWJGKAM-JKSUJKDBSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 86768380
1-[(2R)-2-[(2R)-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 98761952
2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone
CID 97320662
1-[(2R)-2-[(2S)-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95613097
1-[(2R)-2-[(2R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129426788
1-[(2R)-2-[(2S)-1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95336277
1-[(2S)-2-[(2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95612765
1-[(2S)-2-[(2R)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95758428
1-[(2R)-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95343995
1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 56781703
1-[(2R)-2-[(2R)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95346776
1-[(2S)-2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95354140

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (CID 98759002) is 1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cnc(C)cn1.
What is the InChIKey of 1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is RYFBXIFVWJGKAM-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-9-18-14(10-17-12)11-19-7-3-5-15(19)16-6-4-8-20(16)13(2)21/h9-10,15-16H,3-8,11H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of 1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 98759002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).