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(6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

C27H33N5O3 — CID 157026524

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCC(C)c1ccc([C@](O)(c2cncc(-c3noc([C@@H]4CCCC(=O)N4)n3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C27H33N5O3/c1-17(2)18-8-10-20(11-9-18)27(34,26(3)15-32(4)16-26)21-12-19(13-28-14-21)24-30-25(35-31-24)22-6-5-7-23(33)29-22/h8-14,17,22,34H,5-7,15-16H2,1-4H3,(H,29,33)/t22-,27-/m0/s1
InChIKeyGWLWGJHGYLTHAI-CUNXSJBXSA-N
MW475.59 g/mol
LogP3.78
Rot. Bonds6

About (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

(6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one (PubChem CID 157026524) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name(6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
PubChem CID157026524
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name(6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCC(C)c1ccc([C@](O)(c2cncc(-c3noc([C@@H]4CCCC(=O)N4)n3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C27H33N5O3/c1-17(2)18-8-10-20(11-9-18)27(34,26(3)15-32(4)16-26)21-12-19(13-28-14-21)24-30-25(35-31-24)22-6-5-7-23(33)29-22/h8-14,17,22,34H,5-7,15-16H2,1-4H3,(H,29,33)/t22-,27-/m0/s1
InChIKeyGWLWGJHGYLTHAI-CUNXSJBXSA-N
XLogP3.78
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The IUPAC name of (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one (CID 157026524) is (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one.
What is the SMILES notation for (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The canonical SMILES for (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one is CC(C)c1ccc([C@](O)(c2cncc(-c3noc([C@@H]4CCCC(=O)N4)n3)c2)C2(C)CN(C)C2)cc1.
What is the InChIKey of (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The InChIKey is GWLWGJHGYLTHAI-CUNXSJBXSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-17(2)18-8-10-20(11-9-18)27(34,26(3)15-32(4)16-26)21-12-19(13-28-14-21)24-30-25(35-31-24)22-6-5-7-23(33)29-22/h8-14,17,22,34H,5-7,15-16H2,1-4H3,(H,29,33)/t22-,27-/m0/s1.
What are the key properties of (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
(6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one has a molecular weight of 475.59 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one is sourced from PubChem (CID 157026524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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