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

C32H43N5O2 — CID 166525298

About 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propan-2-ylazetidin-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-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 166525298) 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-propan-2-ylazetidin-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-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
• PubChem CID: 166525298
• Molecular Formula: C32H43N5O2
• Molecular Weight: 529.73 g/mol
• Exact Mass: 529.34
• IUPAC Name: 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(c2cc(-c3cncc([C@@](O)(c4ccc(C(C)C)cc4)C4(C)CN(C(C)C)C4)c3)n[nH]2)CC1
• InChI: InChI=1S/C32H43N5O2/c1-21(2)24-7-9-27(10-8-24)32(39,31(6)19-37(20-31)22(3)4)28-15-26(17-33-18-28)30-16-29(34-35-30)25-11-13-36(14-12-25)23(5)38/h7-10,15-18,21-22,25,39H,11-14,19-20H2,1-6H3,(H,34,35)/t32-/m0/s1
• InChIKey: GTIGGCSZZUDBAO-YTTGMZPUSA-N
• XLogP: 5.29
• TPSA: 85.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• 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-propan-2-ylazetidin-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-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 166525298) is 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propan-2-ylazetidin-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-propan-2-ylazetidin-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-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(-c3cncc([C@@](O)(c4ccc(C(C)C)cc4)C4(C)CN(C(C)C)C4)c3)n[nH]2)CC1.

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

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

What are the key properties of 1-[4-[3-[5-[(R)-hydroxy-(3-methyl-1-propan-2-ylazetidin-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-propan-2-ylazetidin-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, 7 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-propan-2-ylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166525298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).