3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione

C28H34N6O3 — CID 166525296

About 3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione

3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione (PubChem CID 166525296) has the molecular formula C28H34N6O3 and a molecular weight of 502.62 g/mol. Its IUPAC name is 3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione
• PubChem CID: 166525296
• Molecular Formula: C28H34N6O3
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.27
• IUPAC Name: 3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione
• SMILES: CC(C)c1ccc([C@](O)(c2cncc(-c3cc(CN4C(=O)CN(C)C4=O)[nH]n3)c2)C2(C)CN(C)C2)cc1
• InChI: InChI=1S/C28H34N6O3/c1-18(2)19-6-8-21(9-7-19)28(37,27(3)16-32(4)17-27)22-10-20(12-29-13-22)24-11-23(30-31-24)14-34-25(35)15-33(5)26(34)36/h6-13,18,37H,14-17H2,1-5H3,(H,30,31)/t28-/m0/s1
• InChIKey: ZSDGFILDXPSPLS-NDEPHWFRSA-N
• XLogP: 3.18
• TPSA: 105.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione?

The IUPAC name of 3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione (CID 166525296) is 3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione?

The canonical SMILES for 3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione is CC(C)c1ccc([C@](O)(c2cncc(-c3cc(CN4C(=O)CN(C)C4=O)[nH]n3)c2)C2(C)CN(C)C2)cc1.

What is the InChIKey of 3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione?

The InChIKey is ZSDGFILDXPSPLS-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H34N6O3/c1-18(2)19-6-8-21(9-7-19)28(37,27(3)16-32(4)17-27)22-10-20(12-29-13-22)24-11-23(30-31-24)14-34-25(35)15-33(5)26(34)36/h6-13,18,37H,14-17H2,1-5H3,(H,30,31)/t28-/m0/s1.

What are the key properties of 3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione?

3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 502.62 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 166525296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).