3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one

C17H12I2N8O3 — CID 159481234

IUPAC3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one
SMILESNNC(=O)c1ccn2c(I)cnc2c1.O=c1[nH]nc(-c2ccn3c(I)cnc3c2)o1
InChIInChI=1S/C9H5IN4O2.C8H7IN4O/c10-6-4-11-7-3-5(1-2-14(6)7)8-12-13-9(15)16-8;9-6-4-11-7-3-5(8(14)12-10)1-2-13(6)7/h1-4H,(H,13,15);1-4H,10H2,(H,12,14)
InChIKeyLXAIWPOBDQZMAF-UHFFFAOYSA-N
MW630.14 g/mol
LogP1.82
Rot. Bonds2

About 3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one

3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 159481234) has the molecular formula C17H12I2N8O3 and a molecular weight of 630.14 g/mol. Its IUPAC name is 3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID159481234
Molecular FormulaC17H12I2N8O3
Molecular Weight630.14 g/mol
Exact Mass629.91
IUPAC Name3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one
SMILESNNC(=O)c1ccn2c(I)cnc2c1.O=c1[nH]nc(-c2ccn3c(I)cnc3c2)o1
InChIInChI=1S/C9H5IN4O2.C8H7IN4O/c10-6-4-11-7-3-5(1-2-14(6)7)8-12-13-9(15)16-8;9-6-4-11-7-3-5(8(14)12-10)1-2-13(6)7/h1-4H,(H,13,15);1-4H,10H2,(H,12,14)
InChIKeyLXAIWPOBDQZMAF-UHFFFAOYSA-N
XLogP1.82
TPSA148.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.14
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-methylimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one
CID 143706869
1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one
CID 158316554
azetidin-1-yl-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone
CID 57497689
(3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone
CID 66724497
3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine
CID 59321129
7-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 162421003
3-iodo-7-[(E)-2-nitroethenyl]imidazo[1,2-a]pyridine;3-iodo-7-(2H-triazol-4-yl)imidazo[1,2-a]pyridine
CID 161207601
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide
CID 167913202
2-oxo-1-propan-2-ylpyridine-4-carbohydrazide
CID 122507445
3-iodo-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 154973002
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

Frequently Asked Questions

What is the IUPAC name of 3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one (CID 159481234) is 3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one is NNC(=O)c1ccn2c(I)cnc2c1.O=c1[nH]nc(-c2ccn3c(I)cnc3c2)o1.
What is the InChIKey of 3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is LXAIWPOBDQZMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IN4O2.C8H7IN4O/c10-6-4-11-7-3-5(1-2-14(6)7)8-12-13-9(15)16-8;9-6-4-11-7-3-5(8(14)12-10)1-2-13(6)7/h1-4H,(H,13,15);1-4H,10H2,(H,12,14).
What are the key properties of 3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one?
3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 630.14 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodoimidazo[1,2-a]pyridine-7-carbohydrazide;5-(3-iodoimidazo[1,2-a]pyridin-7-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 159481234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).