cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone

C18H22N4O — CID 95838423

IUPACcyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1nccn1-c1cccc([C@H]2CCCN2C(=O)C2CCC2)n1
InChIInChI=1S/C18H22N4O/c1-13-19-10-12-21(13)17-9-3-7-15(20-17)16-8-4-11-22(16)18(23)14-5-2-6-14/h3,7,9-10,12,14,16H,2,4-6,8,11H2,1H3/t16-/m1/s1
InChIKeyAWSZZOXGXGKXRL-MRXNPFEDSA-N
MW310.40 g/mol
LogP3.04
Rot. Bonds3

About cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone

cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 95838423) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID95838423
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Namecyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1nccn1-c1cccc([C@H]2CCCN2C(=O)C2CCC2)n1
InChIInChI=1S/C18H22N4O/c1-13-19-10-12-21(13)17-9-3-7-15(20-17)16-8-4-11-22(16)18(23)14-5-2-6-14/h3,7,9-10,12,14,16H,2,4-6,8,11H2,1H3/t16-/m1/s1
InChIKeyAWSZZOXGXGKXRL-MRXNPFEDSA-N
XLogP3.04
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838436
2-methyl-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 175657108
2-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95815925
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95838301
1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone
CID 110152781
2-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]pyrimidine
CID 95838711
1-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butane-1,4-dione
CID 125001747
2-methyl-5-[[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
CID 95826950
4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
CID 110122568
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95815928
(2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 95838692

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 95838423) is cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone is Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)C2CCC2)n1.
What is the InChIKey of cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is AWSZZOXGXGKXRL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-19-10-12-21(13)17-9-3-7-15(20-17)16-8-4-11-22(16)18(23)14-5-2-6-14/h3,7,9-10,12,14,16H,2,4-6,8,11H2,1H3/t16-/m1/s1.
What are the key properties of cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95838423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).