[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

C21H23FN2O2 — CID 68710252

IUPAC[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C21H23FN2O2/c1-26-13-17-3-2-10-24(17)21(25)19-11-18(19)15-6-9-20(23-12-15)14-4-7-16(22)8-5-14/h4-9,12,17-19H,2-3,10-11,13H2,1H3/t17-,18+,19-/m1/s1
InChIKeyYJUCWUKHFPUJRH-CEXWTWQISA-N
MW354.43 g/mol
LogP3.63
Rot. Bonds5

About [(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 68710252) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is [(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID68710252
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C21H23FN2O2/c1-26-13-17-3-2-10-24(17)21(25)19-11-18(19)15-6-9-20(23-12-15)14-4-7-16(22)8-5-14/h4-9,12,17-19H,2-3,10-11,13H2,1H3/t17-,18+,19-/m1/s1
InChIKeyYJUCWUKHFPUJRH-CEXWTWQISA-N
XLogP3.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 68710252) is [(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is COC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(-c2ccc(F)cc2)nc1.
What is the InChIKey of [(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is YJUCWUKHFPUJRH-CEXWTWQISA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-26-13-17-3-2-10-24(17)21(25)19-11-18(19)15-6-9-20(23-12-15)14-4-7-16(22)8-5-14/h4-9,12,17-19H,2-3,10-11,13H2,1H3/t17-,18+,19-/m1/s1.
What are the key properties of [(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
[(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 354.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 68710252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).