N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C17H25FN4O2 — CID 128995010

IUPACN-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)C1=COCCC1
InChIInChI=1S/C17H25FN4O2/c1-20-6-5-19-16(20)11-22-9-14(18)8-15(22)10-21(2)17(23)13-4-3-7-24-12-13/h5-6,12,14-15H,3-4,7-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyJFZGWXWAOGPXMI-GJZGRUSLSA-N
MW336.41 g/mol
LogP1.49
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 128995010) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID128995010
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)C1=COCCC1
InChIInChI=1S/C17H25FN4O2/c1-20-6-5-19-16(20)11-22-9-14(18)8-15(22)10-21(2)17(23)13-4-3-7-24-12-13/h5-6,12,14-15H,3-4,7-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyJFZGWXWAOGPXMI-GJZGRUSLSA-N
XLogP1.49
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide with MolForge

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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-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of 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) is N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide is CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)C1=COCCC1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is JFZGWXWAOGPXMI-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-20-6-5-19-16(20)11-22-9-14(18)8-15(22)10-21(2)17(23)13-4-3-7-24-12-13/h5-6,12,14-15H,3-4,7-11H2,1-2H3/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]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 1.49, 5 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]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 128995010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).