1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one

C17H22N4O — CID 125025642

IUPAC1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCc1cn(C)c([C@@H]2CCN(C(=O)CCc3cccnc3)C2)n1
InChIInChI=1S/C17H22N4O/c1-13-11-20(2)17(19-13)15-7-9-21(12-15)16(22)6-5-14-4-3-8-18-10-14/h3-4,8,10-11,15H,5-7,9,12H2,1-2H3/t15-/m1/s1
InChIKeyZNYYRUSQTSIMET-OAHLLOKOSA-N
MW298.39 g/mol
LogP2.07
Rot. Bonds4

About 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 125025642) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID125025642
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCc1cn(C)c([C@@H]2CCN(C(=O)CCc3cccnc3)C2)n1
InChIInChI=1S/C17H22N4O/c1-13-11-20(2)17(19-13)15-7-9-21(12-15)16(22)6-5-14-4-3-8-18-10-14/h3-4,8,10-11,15H,5-7,9,12H2,1-2H3/t15-/m1/s1
InChIKeyZNYYRUSQTSIMET-OAHLLOKOSA-N
XLogP2.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one with MolForge

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Related Compounds

1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124981783
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72839228
N-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]acetamide
CID 75461375
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95829780
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115746441
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 124974580
3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 118778975
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125012670
1-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 96574284

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 125025642) is 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one is Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3cccnc3)C2)n1.
What is the InChIKey of 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is ZNYYRUSQTSIMET-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-11-20(2)17(19-13)15-7-9-21(12-15)16(22)6-5-14-4-3-8-18-10-14/h3-4,8,10-11,15H,5-7,9,12H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 125025642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).