N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide

C16H24FN7O — CID 167829193

IUPACN-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C)n1cncn1
InChIInChI=1S/C16H24FN7O/c1-12(24-11-18-10-20-24)16(25)22(3)8-14-6-13(17)7-23(14)9-15-19-4-5-21(15)2/h4-5,10-14H,6-9H2,1-3H3/t12?,13-,14-/m0/s1
InChIKeyUFAQHTWLWVLNPA-TTZKSVMKSA-N
MW349.41 g/mol
LogP0.64
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide

N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 167829193) has the molecular formula C16H24FN7O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID167829193
Molecular FormulaC16H24FN7O
Molecular Weight349.41 g/mol
Exact Mass349.20
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C)n1cncn1
InChIInChI=1S/C16H24FN7O/c1-12(24-11-18-10-20-24)16(25)22(3)8-14-6-13(17)7-23(14)9-15-19-4-5-21(15)2/h4-5,10-14H,6-9H2,1-3H3/t12?,13-,14-/m0/s1
InChIKeyUFAQHTWLWVLNPA-TTZKSVMKSA-N
XLogP0.64
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide with MolForge

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Related Compounds

5-(1-Butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one
CID 53300809
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72142705
3-Imidazol-1-yl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 72142974
N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72860398
N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72922086
(2S)-N-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 124758263
1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 164637368
3,5-Dimethyl-1-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 53571986
1-[[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 53586325
1-[2-[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 53623465
3,5-dimethyl-1-[[(2S)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95291825
3,5-dimethyl-1-[[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95291826

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide (CID 167829193) is N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C)n1cncn1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is UFAQHTWLWVLNPA-TTZKSVMKSA-N. The full InChI is InChI=1S/C16H24FN7O/c1-12(24-11-18-10-20-24)16(25)22(3)8-14-6-13(17)7-23(14)9-15-19-4-5-21(15)2/h4-5,10-14H,6-9H2,1-3H3/t12?,13-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 349.41 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 167829193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).