[(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

C17H22N6O — CID 124986602

IUPAC[(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)[C@@]1(c2cnccn2)CCCN1Cc1cnc[nH]1
InChIInChI=1S/C17H22N6O/c24-16(22-7-1-2-8-22)17(15-11-18-5-6-20-15)4-3-9-23(17)12-14-10-19-13-21-14/h5-6,10-11,13H,1-4,7-9,12H2,(H,19,21)/t17-/m0/s1
InChIKeyNZWDIGMBNKQEPJ-KRWDZBQOSA-N
MW326.40 g/mol
LogP1.31
Rot. Bonds4

About [(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

[(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 124986602) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID124986602
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)[C@@]1(c2cnccn2)CCCN1Cc1cnc[nH]1
InChIInChI=1S/C17H22N6O/c24-16(22-7-1-2-8-22)17(15-11-18-5-6-20-15)4-3-9-23(17)12-14-10-19-13-21-14/h5-6,10-11,13H,1-4,7-9,12H2,(H,19,21)/t17-/m0/s1
InChIKeyNZWDIGMBNKQEPJ-KRWDZBQOSA-N
XLogP1.31
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 127245882
[1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 127245885
1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 125009234
cyclopentyl-[2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 127245896
(2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124944335
(2R)-1-ethyl-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124991793
2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
CID 102604390
1-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245773
(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 124986361
(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 124983217
1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 118740294
(2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125005876

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 124986602) is [(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)[C@@]1(c2cnccn2)CCCN1Cc1cnc[nH]1.
What is the InChIKey of [(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NZWDIGMBNKQEPJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N6O/c24-16(22-7-1-2-8-22)17(15-11-18-5-6-20-15)4-3-9-23(17)12-14-10-19-13-21-14/h5-6,10-11,13H,1-4,7-9,12H2,(H,19,21)/t17-/m0/s1.
What are the key properties of [(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 124986602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).