8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride

C21H32Cl2N4O2 — CID 86713490

IUPAC8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
SMILESCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H]1CCCNC1.Cl.Cl
InChIInChI=1S/C21H30N4O2.2ClH/c1-15-19(21(26)24-17-9-5-11-22-13-17)25-12-6-10-18(20(25)23-15)27-14-16-7-3-2-4-8-16;;/h6,10,12,16-17,22H,2-5,7-9,11,13-14H2,1H3,(H,24,26);2*1H/t17-;;/m0../s1
InChIKeyCJYYVUDCHHTLRJ-RMRYJAPISA-N
MW443.42 g/mol
LogP3.93
Rot. Bonds5

About 8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride

8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride (PubChem CID 86713490) has the molecular formula C21H32Cl2N4O2 and a molecular weight of 443.42 g/mol. Its IUPAC name is 8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
PubChem CID86713490
Molecular FormulaC21H32Cl2N4O2
Molecular Weight443.42 g/mol
Exact Mass442.19
IUPAC Name8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
SMILESCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H]1CCCNC1.Cl.Cl
InChIInChI=1S/C21H30N4O2.2ClH/c1-15-19(21(26)24-17-9-5-11-22-13-17)25-12-6-10-18(20(25)23-15)27-14-16-7-3-2-4-8-16;;/h6,10,12,16-17,22H,2-5,7-9,11,13-14H2,1H3,(H,24,26);2*1H/t17-;;/m0../s1
InChIKeyCJYYVUDCHHTLRJ-RMRYJAPISA-N
XLogP3.93
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-pyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 86713482
N-cyclohexyl-8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129267906
8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 86713514
8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride
CID 90072983
8-(cyclohexylmethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115913
8-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90090266
8-(cyclobutylmethoxy)-N-[2-(1-hydroxycyclopentyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115513
(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-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115553
8-ethoxy-2-methyl-N-[(3R,4S)-4-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;methane
CID 162253684
4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 154474868
8-(cyclohexylmethoxy)-2-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 14676228

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride (CID 86713490) is 8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride is Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H]1CCCNC1.Cl.Cl.
What is the InChIKey of 8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is CJYYVUDCHHTLRJ-RMRYJAPISA-N. The full InChI is InChI=1S/C21H30N4O2.2ClH/c1-15-19(21(26)24-17-9-5-11-22-13-17)25-12-6-10-18(20(25)23-15)27-14-16-7-3-2-4-8-16;;/h6,10,12,16-17,22H,2-5,7-9,11,13-14H2,1H3,(H,24,26);2*1H/t17-;;/m0../s1.
What are the key properties of 8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?
8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 443.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 86713490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).