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

C24H32N2O2 — CID 157026584

IUPAC(R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([C@](O)(c2cncc(C3CCOC3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C24H32N2O2/c1-17(2)18-5-7-21(8-6-18)24(27,23(3)15-26(4)16-23)22-11-20(12-25-13-22)19-9-10-28-14-19/h5-8,11-13,17,19,27H,9-10,14-16H2,1-4H3/t19?,24-/m0/s1
InChIKeyKCYDLLKKHGRQOG-WIIYFNMSSA-N
MW380.53 g/mol
LogP3.90
Rot. Bonds5

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

(R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (PubChem CID 157026584) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
PubChem CID157026584
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([C@](O)(c2cncc(C3CCOC3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C24H32N2O2/c1-17(2)18-5-7-21(8-6-18)24(27,23(3)15-26(4)16-23)22-11-20(12-25-13-22)19-9-10-28-14-19/h5-8,11-13,17,19,27H,9-10,14-16H2,1-4H3/t19?,24-/m0/s1
InChIKeyKCYDLLKKHGRQOG-WIIYFNMSSA-N
XLogP3.90
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (CID 157026584) is (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc([C@](O)(c2cncc(C3CCOC3)c2)C2(C)CN(C)C2)cc1.
What is the InChIKey of (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?
The InChIKey is KCYDLLKKHGRQOG-WIIYFNMSSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-17(2)18-5-7-21(8-6-18)24(27,23(3)15-26(4)16-23)22-11-20(12-25-13-22)19-9-10-28-14-19/h5-8,11-13,17,19,27H,9-10,14-16H2,1-4H3/t19?,24-/m0/s1.
What are the key properties of (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?
(R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol has a molecular weight of 380.53 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 157026584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).