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

C27H34N6O2 — CID 166525589

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

1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]imidazolidin-2-one (PubChem CID 166525589) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]imidazolidin-2-one
• PubChem CID: 166525589
• Molecular Formula: C27H34N6O2
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.27
• IUPAC Name: 1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]imidazolidin-2-one
• SMILES: CC(C)c1ccc([C@](O)(c2cncc(-c3cc(CN4CCNC4=O)[nH]n3)c2)C2(C)CN(C)C2)cc1
• InChI: InChI=1S/C27H34N6O2/c1-18(2)19-5-7-21(8-6-19)27(35,26(3)16-32(4)17-26)22-11-20(13-28-14-22)24-12-23(30-31-24)15-33-10-9-29-25(33)34/h5-8,11-14,18,35H,9-10,15-17H2,1-4H3,(H,29,34)(H,30,31)/t27-/m0/s1
• InChIKey: HZOOGUHNMOGPNQ-MHZLTWQESA-N
• XLogP: 3.31
• TPSA: 97.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]imidazolidin-2-one (CID 166525589) is 1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]imidazolidin-2-one.

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

The canonical SMILES for 1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]imidazolidin-2-one is CC(C)c1ccc([C@](O)(c2cncc(-c3cc(CN4CCNC4=O)[nH]n3)c2)C2(C)CN(C)C2)cc1.

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

The InChIKey is HZOOGUHNMOGPNQ-MHZLTWQESA-N. The full InChI is InChI=1S/C27H34N6O2/c1-18(2)19-5-7-21(8-6-19)27(35,26(3)16-32(4)17-26)22-11-20(13-28-14-22)24-12-23(30-31-24)15-33-10-9-29-25(33)34/h5-8,11-14,18,35H,9-10,15-17H2,1-4H3,(H,29,34)(H,30,31)/t27-/m0/s1.

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

1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]imidazolidin-2-one has a molecular weight of 474.61 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]imidazolidin-2-one is sourced from PubChem (CID 166525589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).