[5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol

C26H36N2O2 — CID 175382817

IUPAC[5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)(c2cncc(COC3CCCC3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C26H36N2O2/c1-19(2)21-9-11-22(12-10-21)26(29,25(3)17-28(4)18-25)23-13-20(14-27-15-23)16-30-24-7-5-6-8-24/h9-15,19,24,29H,5-8,16-18H2,1-4H3
InChIKeyJHIUYHKEKWWDQO-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.85
Rot. Bonds7

About [5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol

[5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol (PubChem CID 175382817) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is [5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name[5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
PubChem CID175382817
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name[5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)(c2cncc(COC3CCCC3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C26H36N2O2/c1-19(2)21-9-11-22(12-10-21)26(29,25(3)17-28(4)18-25)23-13-20(14-27-15-23)16-30-24-7-5-6-8-24/h9-15,19,24,29H,5-8,16-18H2,1-4H3
InChIKeyJHIUYHKEKWWDQO-UHFFFAOYSA-N
XLogP4.85
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol?
The IUPAC name of [5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol (CID 175382817) is [5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for [5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for [5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc(C(O)(c2cncc(COC3CCCC3)c2)C2(C)CN(C)C2)cc1.
What is the InChIKey of [5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol?
The InChIKey is JHIUYHKEKWWDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-19(2)21-9-11-22(12-10-21)26(29,25(3)17-28(4)18-25)23-13-20(14-27-15-23)16-30-24-7-5-6-8-24/h9-15,19,24,29H,5-8,16-18H2,1-4H3.
What are the key properties of [5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol?
[5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 408.59 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 175382817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).