8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride

C22H34Cl2N4O3 — CID 86713514

IUPAC8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
SMILESCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H]1C[C@@H](CO)N(C)C1.Cl.Cl
InChIInChI=1S/C22H32N4O3.2ClH/c1-15-20(22(28)24-17-11-18(13-27)25(2)12-17)26-10-6-9-19(21(26)23-15)29-14-16-7-4-3-5-8-16;;/h6,9-10,16-18,27H,3-5,7-8,11-14H2,1-2H3,(H,24,28);2*1H/t17-,18-;;/m0../s1
InChIKeyQMYZGQFZVHWEMX-MPGISEFESA-N
MW473.45 g/mol
LogP3.24
Rot. Bonds6

About 8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride

8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride (PubChem CID 86713514) has the molecular formula C22H34Cl2N4O3 and a molecular weight of 473.45 g/mol. Its IUPAC name is 8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
PubChem CID86713514
Molecular FormulaC22H34Cl2N4O3
Molecular Weight473.45 g/mol
Exact Mass472.20
IUPAC Name8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
SMILESCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H]1C[C@@H](CO)N(C)C1.Cl.Cl
InChIInChI=1S/C22H32N4O3.2ClH/c1-15-20(22(28)24-17-11-18(13-27)25(2)12-17)26-10-6-9-19(21(26)23-15)29-14-16-7-4-3-5-8-16;;/h6,9-10,16-18,27H,3-5,7-8,11-14H2,1-2H3,(H,24,28);2*1H/t17-,18-;;/m0../s1
InChIKeyQMYZGQFZVHWEMX-MPGISEFESA-N
XLogP3.24
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129267906
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-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
methyl 2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-hydroxypropanoate
CID 90072576
8-(cyclohexylmethoxy)-N-(1-hydroxyhexan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115553
8-(cyclobutylmethoxy)-N-[2-(1-hydroxycyclopentyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115513
8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 162322941
8-ethoxy-2-methyl-N-[(3R)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 162316268
8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90090244
4-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 154474868

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride (CID 86713514) is 8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride is Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H]1C[C@@H](CO)N(C)C1.Cl.Cl.
What is the InChIKey of 8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is QMYZGQFZVHWEMX-MPGISEFESA-N. The full InChI is InChI=1S/C22H32N4O3.2ClH/c1-15-20(22(28)24-17-11-18(13-27)25(2)12-17)26-10-6-9-19(21(26)23-15)29-14-16-7-4-3-5-8-16;;/h6,9-10,16-18,27H,3-5,7-8,11-14H2,1-2H3,(H,24,28);2*1H/t17-,18-;;/m0../s1.
What are the key properties of 8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?
8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 473.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethoxy)-N-[(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 86713514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).