[2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C22H26FN3O2 — CID 11567155

IUPAC[2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(OCc2ccncc2)cc1F)N1CCCC1CN1CCCC1
InChIInChI=1S/C22H26FN3O2/c23-21-14-19(28-16-17-7-9-24-10-8-17)5-6-20(21)22(27)26-13-3-4-18(26)15-25-11-1-2-12-25/h5-10,14,18H,1-4,11-13,15-16H2
InChIKeyHEYUSIDIJRLENG-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.50
Rot. Bonds6

About [2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

[2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 11567155) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is [2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID11567155
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name[2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(OCc2ccncc2)cc1F)N1CCCC1CN1CCCC1
InChIInChI=1S/C22H26FN3O2/c23-21-14-19(28-16-17-7-9-24-10-8-17)5-6-20(21)22(27)26-13-3-4-18(26)15-25-11-1-2-12-25/h5-10,14,18H,1-4,11-13,15-16H2
InChIKeyHEYUSIDIJRLENG-UHFFFAOYSA-N
XLogP3.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-fluoro-4-(thiophen-2-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11581856
(2-fluoro-4-pyrimidin-5-ylphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11617335
[2-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11597275
[4-(2,4-dimethoxyphenyl)-2-fluorophenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11661550
(2-fluoro-4-quinolin-3-ylphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11553176
[2-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 70925224
[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[4-[[4-(trifluoromethylsulfonyl)phenyl]methoxy]phenyl]methanone
CID 11634663
[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11718278
[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methanone
CID 11640613
[4-(pyridin-2-ylmethoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11617548
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 171991929
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid
CID 103628823

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 11567155) is [2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(OCc2ccncc2)cc1F)N1CCCC1CN1CCCC1.
What is the InChIKey of [2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is HEYUSIDIJRLENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-21-14-19(28-16-17-7-9-24-10-8-17)5-6-20(21)22(27)26-13-3-4-18(26)15-25-11-1-2-12-25/h5-10,14,18H,1-4,11-13,15-16H2.
What are the key properties of [2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
[2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 383.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 11567155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).