[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C19H22N6O — CID 95839151

IUPAC[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCCc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2cnn(C)c2)n1
InChIInChI=1S/C19H22N6O/c1-3-17-20-9-11-25(17)18-8-4-6-15(22-18)16-7-5-10-24(16)19(26)14-12-21-23(2)13-14/h4,6,8-9,11-13,16H,3,5,7,10H2,1-2H3/t16-/m1/s1
InChIKeyLAFDVCXNGLLCLI-MRXNPFEDSA-N
MW350.43 g/mol
LogP2.54
Rot. Bonds4

About [(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 95839151) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID95839151
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCCc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2cnn(C)c2)n1
InChIInChI=1S/C19H22N6O/c1-3-17-20-9-11-25(17)18-8-4-6-15(22-18)16-7-5-10-24(16)19(26)14-12-21-23(2)13-14/h4,6,8-9,11-13,16H,3,5,7,10H2,1-2H3/t16-/m1/s1
InChIKeyLAFDVCXNGLLCLI-MRXNPFEDSA-N
XLogP2.54
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95838768
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95815928
1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110268084
2-(2-ethylimidazol-1-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 95839014
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 95838940
[4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124939502
2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95838931
N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 110122450
[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95838332
2-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanol
CID 95815943
[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110254706
N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124995506

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 95839151) is [(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2cnn(C)c2)n1.
What is the InChIKey of [(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is LAFDVCXNGLLCLI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N6O/c1-3-17-20-9-11-25(17)18-8-4-6-15(22-18)16-7-5-10-24(16)19(26)14-12-21-23(2)13-14/h4,6,8-9,11-13,16H,3,5,7,10H2,1-2H3/t16-/m1/s1.
What are the key properties of [(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 350.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 95839151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).