(2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone

C18H20FN3O3 — CID 128983154

IUPAC(2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(-c2cncnc2)cc1F
InChIInChI=1S/C18H20FN3O3/c1-24-10-14-6-15(25-2)9-22(14)18(23)16-4-3-12(5-17(16)19)13-7-20-11-21-8-13/h3-5,7-8,11,14-15H,6,9-10H2,1-2H3/t14-,15+/m0/s1
InChIKeyNBSAVOGAWOCYFY-LSDHHAIUSA-N
MW345.37 g/mol
LogP2.16
Rot. Bonds5

About (2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone

(2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 128983154) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID128983154
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name(2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(-c2cncnc2)cc1F
InChIInChI=1S/C18H20FN3O3/c1-24-10-14-6-15(25-2)9-22(14)18(23)16-4-3-12(5-17(16)19)13-7-20-11-21-8-13/h3-5,7-8,11,14-15H,6,9-10H2,1-2H3/t14-,15+/m0/s1
InChIKeyNBSAVOGAWOCYFY-LSDHHAIUSA-N
XLogP2.16
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[2-fluoro-4-(4-fluorophenyl)phenyl]-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985164
(3-bromo-4-pyridinyl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128984375
(4-bromo-2-fluorophenyl)-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985553
(4-fluoro-3-methoxyphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128982637
[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(2,4,5-trifluorophenyl)methanone
CID 128971128
(2-fluoro-4-pyrimidin-5-ylphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11617335
7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 128983155
(5-bromo-3-pyridinyl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128984339
3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 128983177
[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 128985419
[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 128982599
(4-methoxy-3,5-dimethylphenyl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128984379

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 128983154) is (2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone is COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(-c2cncnc2)cc1F.
What is the InChIKey of (2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NBSAVOGAWOCYFY-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-24-10-14-6-15(25-2)9-22(14)18(23)16-4-3-12(5-17(16)19)13-7-20-11-21-8-13/h3-5,7-8,11,14-15H,6,9-10H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
(2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 345.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128983154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).