3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol

C12H16IN3O — CID 167903552

IUPAC3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol
SMILESCN(CCCO)Cc1cccn2c(I)cnc12
InChIInChI=1S/C12H16IN3O/c1-15(5-3-7-17)9-10-4-2-6-16-11(13)8-14-12(10)16/h2,4,6,8,17H,3,5,7,9H2,1H3
InChIKeyPGOVRDCFPNHQQC-UHFFFAOYSA-N
MW345.18 g/mol
LogP1.75
Rot. Bonds5

About 3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol

3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol (PubChem CID 167903552) has the molecular formula C12H16IN3O and a molecular weight of 345.18 g/mol. Its IUPAC name is 3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol
PubChem CID167903552
Molecular FormulaC12H16IN3O
Molecular Weight345.18 g/mol
Exact Mass345.03
IUPAC Name3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol
SMILESCN(CCCO)Cc1cccn2c(I)cnc12
InChIInChI=1S/C12H16IN3O/c1-15(5-3-7-17)9-10-4-2-6-16-11(13)8-14-12(10)16/h2,4,6,8,17H,3,5,7,9H2,1H3
InChIKeyPGOVRDCFPNHQQC-UHFFFAOYSA-N
XLogP1.75
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol with MolForge

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Related Compounds

3-iodo-8-methylimidazo[1,2-a]pyridine
CID 115404343
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
5-[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]pentan-1-ol
CID 107204474
3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 111543545
ethane;3-[(8-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-N-formylpropanamide
CID 156795295
3-(2,6-diethyl-N-methylanilino)propan-1-ol
CID 117029253
4-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butan-1-ol
CID 110931579
4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile
CID 167881010
3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carbothioamide
CID 62894279
5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol
CID 107203900
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145

Frequently Asked Questions

What is the IUPAC name of 3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol?
The IUPAC name of 3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol (CID 167903552) is 3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol is CN(CCCO)Cc1cccn2c(I)cnc12.
What is the InChIKey of 3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol?
The InChIKey is PGOVRDCFPNHQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3O/c1-15(5-3-7-17)9-10-4-2-6-16-11(13)8-14-12(10)16/h2,4,6,8,17H,3,5,7,9H2,1H3.
What are the key properties of 3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol?
3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol has a molecular weight of 345.18 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 167903552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).