4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine

C16H22F2IN3O — CID 90292789

IUPAC4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine
SMILESFC1(F)CCC(n2nc(I)cc2C2CCN(C3COC3)CC2)C1
InChIInChI=1S/C16H22F2IN3O/c17-16(18)4-1-12(8-16)22-14(7-15(19)20-22)11-2-5-21(6-3-11)13-9-23-10-13/h7,11-13H,1-6,8-10H2
InChIKeyDKIUOGCPCKERQG-UHFFFAOYSA-N
MW437.27 g/mol
LogP3.43
Rot. Bonds3

About 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine

4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine (PubChem CID 90292789) has the molecular formula C16H22F2IN3O and a molecular weight of 437.27 g/mol. Its IUPAC name is 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine
PubChem CID90292789
Molecular FormulaC16H22F2IN3O
Molecular Weight437.27 g/mol
Exact Mass437.08
IUPAC Name4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine
SMILESFC1(F)CCC(n2nc(I)cc2C2CCN(C3COC3)CC2)C1
InChIInChI=1S/C16H22F2IN3O/c17-16(18)4-1-12(8-16)22-14(7-15(19)20-22)11-2-5-21(6-3-11)13-9-23-10-13/h7,11-13H,1-6,8-10H2
InChIKeyDKIUOGCPCKERQG-UHFFFAOYSA-N
XLogP3.43
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine?
The IUPAC name of 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine (CID 90292789) is 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine is FC1(F)CCC(n2nc(I)cc2C2CCN(C3COC3)CC2)C1.
What is the InChIKey of 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine?
The InChIKey is DKIUOGCPCKERQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2IN3O/c17-16(18)4-1-12(8-16)22-14(7-15(19)20-22)11-2-5-21(6-3-11)13-9-23-10-13/h7,11-13H,1-6,8-10H2.
What are the key properties of 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine?
4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine has a molecular weight of 437.27 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 90292789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).