N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide

C17H23FN4O2 — CID 128995009

IUPACN-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)Cc1ccoc1
InChIInChI=1S/C17H23FN4O2/c1-20-5-4-19-16(20)11-22-9-14(18)8-15(22)10-21(2)17(23)7-13-3-6-24-12-13/h3-6,12,14-15H,7-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyDCBNQIPPYVZPMK-GJZGRUSLSA-N
MW334.39 g/mol
LogP1.63
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide

N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide (PubChem CID 128995009) has the molecular formula C17H23FN4O2 and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide
PubChem CID128995009
Molecular FormulaC17H23FN4O2
Molecular Weight334.39 g/mol
Exact Mass334.18
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)Cc1ccoc1
InChIInChI=1S/C17H23FN4O2/c1-20-5-4-19-16(20)11-22-9-14(18)8-15(22)10-21(2)17(23)7-13-3-6-24-12-13/h3-6,12,14-15H,7-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyDCBNQIPPYVZPMK-GJZGRUSLSA-N
XLogP1.63
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 128994444
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide
CID 128974810
1-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-4-ylurea
CID 128994381
(1S)-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 129474918
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 128995010
[4-[[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]phenyl]methanol
CID 128995371
1-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-3-yl)urea
CID 128994433
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 128995248
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 154743465
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide
CID 128966832
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 128969461
(2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
CID 129475600

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide (CID 128995009) is N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide is CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)Cc1ccoc1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide?
The InChIKey is DCBNQIPPYVZPMK-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-20-5-4-19-16(20)11-22-9-14(18)8-15(22)10-21(2)17(23)7-13-3-6-24-12-13/h3-6,12,14-15H,7-11H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide?
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide has a molecular weight of 334.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-3-yl)-N-methylacetamide is sourced from PubChem (CID 128995009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).