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

C31H34ClIN6O4 — CID 161410263

IUPACimidazo[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
SMILESC.CCCC(=O)c1ccn2c(I)cnc2c1.CCCC(=O)c1ccn2ccnc2c1.Cl.O=C(O)c1ccn2ccnc2c1
InChIInChI=1S/C11H11IN2O.C11H12N2O.C8H6N2O2.CH4.ClH/c1-2-3-9(15)8-4-5-14-10(12)7-13-11(14)6-8;1-2-3-10(14)9-4-6-13-7-5-12-11(13)8-9;11-8(12)6-1-3-10-4-2-9-7(10)5-6;;/h4-7H,2-3H2,1H3;4-8H,2-3H2,1H3;1-5H,(H,11,12);1H4;1H
InChIKeyZMHSNPNIENABDN-UHFFFAOYSA-N
MW717.01 g/mol
LogP7.33
Rot. Bonds7

About 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

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 (PubChem CID 161410263) has the molecular formula C31H34ClIN6O4 and a molecular weight of 717.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameimidazo[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
PubChem CID161410263
Molecular FormulaC31H34ClIN6O4
Molecular Weight717.01 g/mol
Exact Mass716.14
IUPAC Nameimidazo[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
SMILESC.CCCC(=O)c1ccn2c(I)cnc2c1.CCCC(=O)c1ccn2ccnc2c1.Cl.O=C(O)c1ccn2ccnc2c1
InChIInChI=1S/C11H11IN2O.C11H12N2O.C8H6N2O2.CH4.ClH/c1-2-3-9(15)8-4-5-14-10(12)7-13-11(14)6-8;1-2-3-10(14)9-4-6-13-7-5-12-11(13)8-9;11-8(12)6-1-3-10-4-2-9-7(10)5-6;;/h4-7H,2-3H2,1H3;4-8H,2-3H2,1H3;1-5H,(H,11,12);1H4;1H
InChIKeyZMHSNPNIENABDN-UHFFFAOYSA-N
XLogP7.33
TPSA123.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.01
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-(3-iodoimidazo[1,2-a]pyridin-7-yl)butan-1-one
CID 158316554
1-imidazo[1,2-a]pyridin-7-ylbutan-1-one
CID 158316553
ethane;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one
CID 143707099
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
N-(2-imidazo[1,2-a]pyridin-7-yl-2-oxoethyl)acetamide
CID 59320836
azetidin-1-yl-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone
CID 57497689
(Z)-4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one
CID 59320858
(3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone
CID 66724497
imidazo[1,2-a]pyridin-7-yl(pyrrolidin-1-yl)methanone
CID 118588718
3-[[2-(1-methoxypiperidin-4-yl)acetyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 146102861
1-(2-phenyl-4-pyridinyl)butan-1-one
CID 44538893
N-(2-aminoethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 172844439

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CCCC(=O)c1ccn2c(I)cnc2c1.CCCC(=O)c1ccn2ccnc2c1.Cl.O=C(O)c1ccn2ccnc2c1.
What is the InChIKey of 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?
The InChIKey is ZMHSNPNIENABDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O.C11H12N2O.C8H6N2O2.CH4.ClH/c1-2-3-9(15)8-4-5-14-10(12)7-13-11(14)6-8;1-2-3-10(14)9-4-6-13-7-5-12-11(13)8-9;11-8(12)6-1-3-10-4-2-9-7(10)5-6;;/h4-7H,2-3H2,1H3;4-8H,2-3H2,1H3;1-5H,(H,11,12);1H4;1H.
What are the key properties of 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?
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 has a molecular weight of 717.01 g/mol, XLogP of 7.33, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161410263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).