[3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone

C22H24FN5O3 — CID 139347568

IUPAC[3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone
SMILESCc1nnn(CC(O)COc2ccc(C(=O)N3CCC(c4ccc(F)cc4)C3)cc2)n1
InChIInChI=1S/C22H24FN5O3/c1-15-24-26-28(25-15)13-20(29)14-31-21-8-4-17(5-9-21)22(30)27-11-10-18(12-27)16-2-6-19(23)7-3-16/h2-9,18,20,29H,10-14H2,1H3
InChIKeyVRSNQZUUKGBBTN-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.19
Rot. Bonds7

About [3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone

[3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone (PubChem CID 139347568) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is [3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone
PubChem CID139347568
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name[3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone
SMILESCc1nnn(CC(O)COc2ccc(C(=O)N3CCC(c4ccc(F)cc4)C3)cc2)n1
InChIInChI=1S/C22H24FN5O3/c1-15-24-26-28(25-15)13-20(29)14-31-21-8-4-17(5-9-21)22(30)27-11-10-18(12-27)16-2-6-19(23)7-3-16/h2-9,18,20,29H,10-14H2,1H3
InChIKeyVRSNQZUUKGBBTN-UHFFFAOYSA-N
XLogP2.19
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone with MolForge

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Related Compounds

ethyl 2-[(2R)-3-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]-2-hydroxypropyl]tetrazole-5-carboxylate
CID 139351646
4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid
CID 139351628
[4-[(2R)-2-azido-3-(tetrazol-2-yl)propoxy]phenyl]-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 139347653
cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42116086
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94797788
4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid
CID 156622018
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 31591068
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785
(4-ethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069342
[(3S)-1-(4-ethoxybenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 57453518
(6-ethoxy-3-pyridinyl)-[(3R)-3-(4-fluorophenyl)azepan-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone?
The IUPAC name of [3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone (CID 139347568) is [3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone is Cc1nnn(CC(O)COc2ccc(C(=O)N3CCC(c4ccc(F)cc4)C3)cc2)n1.
What is the InChIKey of [3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone?
The InChIKey is VRSNQZUUKGBBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-15-24-26-28(25-15)13-20(29)14-31-21-8-4-17(5-9-21)22(30)27-11-10-18(12-27)16-2-6-19(23)7-3-16/h2-9,18,20,29H,10-14H2,1H3.
What are the key properties of [3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone?
[3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone has a molecular weight of 425.46 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)pyrrolidin-1-yl]-[4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]phenyl]methanone is sourced from PubChem (CID 139347568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).