8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride

C16H22Cl2N2O3 — CID 90072983

IUPAC8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride
SMILESCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)O.Cl.Cl
InChIInChI=1S/C16H20N2O3.2ClH/c1-11-14(16(19)20)18-9-5-8-13(15(18)17-11)21-10-12-6-3-2-4-7-12;;/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,19,20);2*1H
InChIKeyUSFNBQNKBLQUKP-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.14
Rot. Bonds4

About 8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride

8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride (PubChem CID 90072983) has the molecular formula C16H22Cl2N2O3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride
PubChem CID90072983
Molecular FormulaC16H22Cl2N2O3
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride
SMILESCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)O.Cl.Cl
InChIInChI=1S/C16H20N2O3.2ClH/c1-11-14(16(19)20)18-9-5-8-13(15(18)17-11)21-10-12-6-3-2-4-7-12;;/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,19,20);2*1H
InChIKeyUSFNBQNKBLQUKP-UHFFFAOYSA-N
XLogP4.14
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129267906
8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 90132429
8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-pyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 86713482
8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 86713490
8-(cyclohexylmethoxy)-2-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 14676228
8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115913
methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate
CID 90072576
8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 86713514
8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115553
(1R,2R)-1-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-methyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 121482045
8-(cyclobutylmethoxy)-N-[2-(1-hydroxycyclopentyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115513
methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate
CID 140636860

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride?
The IUPAC name of 8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride (CID 90072983) is 8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for 8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride?
The canonical SMILES for 8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride is Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)O.Cl.Cl.
What is the InChIKey of 8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride?
The InChIKey is USFNBQNKBLQUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3.2ClH/c1-11-14(16(19)20)18-9-5-8-13(15(18)17-11)21-10-12-6-3-2-4-7-12;;/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,19,20);2*1H.
What are the key properties of 8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride?
8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride has a molecular weight of 361.27 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 90072983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).