1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C32H43N5O2 — CID 166525248

About 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 166525248) has the molecular formula C32H43N5O2 and a molecular weight of 529.73 g/mol. Its IUPAC name is 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
• PubChem CID: 166525248
• Molecular Formula: C32H43N5O2
• Molecular Weight: 529.73 g/mol
• Exact Mass: 529.34
• IUPAC Name: 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
• SMILES: CCCN1CC(C)([C@](O)(c2ccc(C(C)C)cc2)c2cncc(-c3cc(C4CCN(C(C)=O)CC4)[nH]n3)c2)C1
• InChI: InChI=1S/C32H43N5O2/c1-6-13-36-20-31(5,21-36)32(39,27-9-7-24(8-10-27)22(2)3)28-16-26(18-33-19-28)30-17-29(34-35-30)25-11-14-37(15-12-25)23(4)38/h7-10,16-19,22,25,39H,6,11-15,20-21H2,1-5H3,(H,34,35)/t32-/m0/s1
• InChIKey: GVBOHNMLHNWUGF-YTTGMZPUSA-N
• XLogP: 5.29
• TPSA: 85.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.73
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 166525248) is 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is CCCN1CC(C)([C@](O)(c2ccc(C(C)C)cc2)c2cncc(-c3cc(C4CCN(C(C)=O)CC4)[nH]n3)c2)C1.

What is the InChIKey of 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?

The InChIKey is GVBOHNMLHNWUGF-YTTGMZPUSA-N. The full InChI is InChI=1S/C32H43N5O2/c1-6-13-36-20-31(5,21-36)32(39,27-9-7-24(8-10-27)22(2)3)28-16-26(18-33-19-28)30-17-29(34-35-30)25-11-14-37(15-12-25)23(4)38/h7-10,16-19,22,25,39H,6,11-15,20-21H2,1-5H3,(H,34,35)/t32-/m0/s1.

What are the key properties of 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?

1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 529.73 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166525248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).