N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide

C25H34BrN5O3 — CID 146485258

About N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide

N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide (PubChem CID 146485258) has the molecular formula C25H34BrN5O3 and a molecular weight of 532.48 g/mol. Its IUPAC name is N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide
• PubChem CID: 146485258
• Molecular Formula: C25H34BrN5O3
• Molecular Weight: 532.48 g/mol
• Exact Mass: 531.18
• IUPAC Name: N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide
• SMILES: CC(=O)NC1CCN(C(=O)c2nn(CCC3CCC(Oc4ncccc4C)CC3)cc2Br)CC1
• InChI: InChI=1S/C25H34BrN5O3/c1-17-4-3-12-27-24(17)34-21-7-5-19(6-8-21)9-15-31-16-22(26)23(29-31)25(33)30-13-10-20(11-14-30)28-18(2)32/h3-4,12,16,19-21H,5-11,13-15H2,1-2H3,(H,28,32)
• InChIKey: LDOHEZAEQJKLLO-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.48
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide?

The IUPAC name of N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide (CID 146485258) is N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide.

What is the SMILES notation for N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide?

The canonical SMILES for N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2nn(CCC3CCC(Oc4ncccc4C)CC3)cc2Br)CC1.

What is the InChIKey of N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide?

The InChIKey is LDOHEZAEQJKLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34BrN5O3/c1-17-4-3-12-27-24(17)34-21-7-5-19(6-8-21)9-15-31-16-22(26)23(29-31)25(33)30-13-10-20(11-14-30)28-18(2)32/h3-4,12,16,19-21H,5-11,13-15H2,1-2H3,(H,28,32).

What are the key properties of N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide?

N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 532.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 146485258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).