4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper

C13H16BrCuIN3O — CID 68731791

IUPAC4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper
SMILESOC1CCC(Nc2ccc3ncc(Br)n3c2)CC1.[Cu]I
InChIInChI=1S/C13H16BrN3O.Cu.HI/c14-12-7-15-13-6-3-10(8-17(12)13)16-9-1-4-11(18)5-2-9;;/h3,6-9,11,16,18H,1-2,4-5H2;;1H/q;+1;/p-1
InChIKeyIBYJZDVHEQTOEN-UHFFFAOYSA-M
MW500.65 g/mol
LogP3.70
Rot. Bonds2

About 4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper

4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper (PubChem CID 68731791) has the molecular formula C13H16BrCuIN3O and a molecular weight of 500.65 g/mol. Its IUPAC name is 4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper.

Molecular Properties

Compound Name4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper
PubChem CID68731791
Molecular FormulaC13H16BrCuIN3O
Molecular Weight500.65 g/mol
Exact Mass498.88
IUPAC Name4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper
SMILESOC1CCC(Nc2ccc3ncc(Br)n3c2)CC1.[Cu]I
InChIInChI=1S/C13H16BrN3O.Cu.HI/c14-12-7-15-13-6-3-10(8-17(12)13)16-9-1-4-11(18)5-2-9;;/h3,6-9,11,16,18H,1-2,4-5H2;;1H/q;+1;/p-1
InChIKeyIBYJZDVHEQTOEN-UHFFFAOYSA-M
XLogP3.70
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-6-N-cyclopentylimidazo[1,2-a]pyridine-6,8-diamine
CID 23593567
N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide
CID 115268794
3-bromoimidazo[1,2-a]pyridin-6-amine
CID 43370275
3-bromo-6-methylimidazo[1,2-a]pyridine
CID 5260646
N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-methylfuran-2-carboxamide
CID 115274961
4-[(6-pyrazol-1-yl-3-pyridinyl)amino]cyclohexan-1-ol
CID 106593874
4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol
CID 107803944
4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol
CID 106593692
N-(oxolan-3-yl)-3-phenylimidazo[1,2-a]pyridin-6-amine
CID 167440411
4-[(1-ethylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 106593658
N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide
CID 115268819
4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 103721709

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper?
The IUPAC name of 4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper (CID 68731791) is 4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper.
What is the SMILES notation for 4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper?
The canonical SMILES for 4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper is OC1CCC(Nc2ccc3ncc(Br)n3c2)CC1.[Cu]I.
What is the InChIKey of 4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper?
The InChIKey is IBYJZDVHEQTOEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16BrN3O.Cu.HI/c14-12-7-15-13-6-3-10(8-17(12)13)16-9-1-4-11(18)5-2-9;;/h3,6-9,11,16,18H,1-2,4-5H2;;1H/q;+1;/p-1.
What are the key properties of 4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper?
4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper has a molecular weight of 500.65 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromoimidazo[1,2-a]pyridin-6-yl)amino]cyclohexan-1-ol;iodocopper is sourced from PubChem (CID 68731791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).