cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone

C18H23N5O — CID 124993993

IUPACcyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone
SMILESCn1ccnc1-c1cncc(C[C@H]2CCN(C(=O)C3CCC3)C2)n1
InChIInChI=1S/C18H23N5O/c1-22-8-6-20-17(22)16-11-19-10-15(21-16)9-13-5-7-23(12-13)18(24)14-3-2-4-14/h6,8,10-11,13-14H,2-5,7,9,12H2,1H3/t13-/m1/s1
InChIKeyQBSSLDOUHBBVKU-CYBMUJFWSA-N
MW325.42 g/mol
LogP2.07
Rot. Bonds4

About cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone

cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 124993993) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone
PubChem CID124993993
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Namecyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone
SMILESCn1ccnc1-c1cncc(C[C@H]2CCN(C(=O)C3CCC3)C2)n1
InChIInChI=1S/C18H23N5O/c1-22-8-6-20-17(22)16-11-19-10-15(21-16)9-13-5-7-23(12-13)18(24)14-3-2-4-14/h6,8,10-11,13-14H,2-5,7,9,12H2,1H3/t13-/m1/s1
InChIKeyQBSSLDOUHBBVKU-CYBMUJFWSA-N
XLogP2.07
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110110604
cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 125025489
[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 124977592
[4-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110110205
cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124987285
1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 125024619
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 125008856
[(3S)-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 124991268
[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124991197
[(3S)-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 125006434
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 125003846
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124995802

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone (CID 124993993) is cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone is Cn1ccnc1-c1cncc(C[C@H]2CCN(C(=O)C3CCC3)C2)n1.
What is the InChIKey of cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is QBSSLDOUHBBVKU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22-8-6-20-17(22)16-11-19-10-15(21-16)9-13-5-7-23(12-13)18(24)14-3-2-4-14/h6,8,10-11,13-14H,2-5,7,9,12H2,1H3/t13-/m1/s1.
What are the key properties of cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone?
cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124993993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).