(R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol

C24H33N3O2 — CID 157026424

IUPAC(R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([C@](O)(c2cnnc(C3CCOCC3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C24H33N3O2/c1-17(2)18-5-7-20(8-6-18)24(28,23(3)15-27(4)16-23)21-13-22(26-25-14-21)19-9-11-29-12-10-19/h5-8,13-14,17,19,28H,9-12,15-16H2,1-4H3/t24-/m0/s1
InChIKeyXCEQZMSHODPZJB-DEOSSOPVSA-N
MW395.55 g/mol
LogP3.68
Rot. Bonds5

About (R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol

(R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol (PubChem CID 157026424) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol
PubChem CID157026424
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name(R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([C@](O)(c2cnnc(C3CCOCC3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C24H33N3O2/c1-17(2)18-5-7-20(8-6-18)24(28,23(3)15-27(4)16-23)21-13-22(26-25-14-21)19-9-11-29-12-10-19/h5-8,13-14,17,19,28H,9-12,15-16H2,1-4H3/t24-/m0/s1
InChIKeyXCEQZMSHODPZJB-DEOSSOPVSA-N
XLogP3.68
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 157026584
(1,3-dimethylazetidin-3-yl)-[5-[5-(oxan-4-yl)-1H-pyrrol-2-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 175382726
2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-5-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol
CID 171853784
5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 157026054
(R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol
CID 157026271
(R)-(1,3-dimethylazetidin-3-yl)-[5-(5,5-dimethyloxolan-2-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 157026295
1-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]piperidin-3-ol
CID 157025946
(1-cyclopropyl-3-methylazetidin-3-yl)-[5-[1-cyclopropyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 170161793
1-[(3S)-1-[5-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]pyrrolidin-3-yl]ethanol
CID 175382622
[5-(cyclopentyloxymethyl)-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
CID 175382817
1-[4-[2-[5-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 175382807
(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 157025987

Frequently Asked Questions

What is the IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol (CID 157026424) is (R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc([C@](O)(c2cnnc(C3CCOCC3)c2)C2(C)CN(C)C2)cc1.
What is the InChIKey of (R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol?
The InChIKey is XCEQZMSHODPZJB-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-17(2)18-5-7-20(8-6-18)24(28,23(3)15-27(4)16-23)21-13-22(26-25-14-21)19-9-11-29-12-10-19/h5-8,13-14,17,19,28H,9-12,15-16H2,1-4H3/t24-/m0/s1.
What are the key properties of (R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol?
(R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol has a molecular weight of 395.55 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1,3-dimethylazetidin-3-yl)-[6-(oxan-4-yl)pyridazin-4-yl]-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 157026424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).