2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol

C30H29IN6O2 — CID 159956064

IUPAC2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2ccn3c(I)cnc3c2)cn1.CC(C)(O)c1ccc(-c2ccn3ccnc3c2)cn1
InChIInChI=1S/C15H14IN3O.C15H15N3O/c1-15(2,20)12-4-3-11(8-17-12)10-5-6-19-13(16)9-18-14(19)7-10;1-15(2,19)13-4-3-12(10-17-13)11-5-7-18-8-6-16-14(18)9-11/h3-9,20H,1-2H3;3-10,19H,1-2H3
InChIKeyOCSQYESSFIENIB-UHFFFAOYSA-N
MW632.51 g/mol
LogP5.85
Rot. Bonds4

About 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol

2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol (PubChem CID 159956064) has the molecular formula C30H29IN6O2 and a molecular weight of 632.51 g/mol. Its IUPAC name is 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol
PubChem CID159956064
Molecular FormulaC30H29IN6O2
Molecular Weight632.51 g/mol
Exact Mass632.14
IUPAC Name2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2ccn3c(I)cnc3c2)cn1.CC(C)(O)c1ccc(-c2ccn3ccnc3c2)cn1
InChIInChI=1S/C15H14IN3O.C15H15N3O/c1-15(2,20)12-4-3-11(8-17-12)10-5-6-19-13(16)9-18-14(19)7-10;1-15(2,19)13-4-3-12(10-17-13)11-5-7-18-8-6-16-14(18)9-11/h3-9,20H,1-2H3;3-10,19H,1-2H3
InChIKeyOCSQYESSFIENIB-UHFFFAOYSA-N
XLogP5.85
TPSA100.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.51
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(3-phenylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol
CID 141435579
imidazo[1,2-a]pyridine-7-carboxylic acid;1-imidazo[1,2-a]pyridin-7-ylbutan-1-one;1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one;methane;hydrochloride
CID 161410263
3-iodo-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 154973002
5-imidazo[1,2-a]pyridin-7-yl-N,N-dimethylpyrimidin-2-amine
CID 91804708
3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine
CID 59321129
bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine
CID 162029209
7-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyridine
CID 121014694
2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-1,3,4-thiadiazole
CID 66739967
3-(3-iodoimidazo[1,2-a]pyridin-7-yl)-5-methyl-4,5-dihydro-1,2-oxazole
CID 89070587
2-(3-iodoimidazo[1,2-a]pyridin-7-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 138541437
7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 53393117
2-imidazo[1,2-a]pyridin-7-yl-2-methylpropan-1-ol
CID 155349510

Frequently Asked Questions

What is the IUPAC name of 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol (CID 159956064) is 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(-c2ccn3c(I)cnc3c2)cn1.CC(C)(O)c1ccc(-c2ccn3ccnc3c2)cn1.
What is the InChIKey of 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol?
The InChIKey is OCSQYESSFIENIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O.C15H15N3O/c1-15(2,20)12-4-3-11(8-17-12)10-5-6-19-13(16)9-18-14(19)7-10;1-15(2,19)13-4-3-12(10-17-13)11-5-7-18-8-6-16-14(18)9-11/h3-9,20H,1-2H3;3-10,19H,1-2H3.
What are the key properties of 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol?
2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol has a molecular weight of 632.51 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;2-[5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 159956064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).