1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride

C21H29ClN4O3 — CID 71236690

IUPAC1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CC=C(c2ccn3c(N4CCC(OCCO)CC4)cnc3c2)CC1.Cl
InChIInChI=1S/C21H28N4O3.ClH/c1-16(27)23-7-2-17(3-8-23)18-4-11-25-20(14-18)22-15-21(25)24-9-5-19(6-10-24)28-13-12-26;/h2,4,11,14-15,19,26H,3,5-10,12-13H2,1H3;1H
InChIKeyLDDSCHLOYMZIAO-UHFFFAOYSA-N
MW420.94 g/mol
LogP2.37
Rot. Bonds5

About 1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride

1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride (PubChem CID 71236690) has the molecular formula C21H29ClN4O3 and a molecular weight of 420.94 g/mol. Its IUPAC name is 1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride
PubChem CID71236690
Molecular FormulaC21H29ClN4O3
Molecular Weight420.94 g/mol
Exact Mass420.19
IUPAC Name1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CC=C(c2ccn3c(N4CCC(OCCO)CC4)cnc3c2)CC1.Cl
InChIInChI=1S/C21H28N4O3.ClH/c1-16(27)23-7-2-17(3-8-23)18-4-11-25-20(14-18)22-15-21(25)24-9-5-19(6-10-24)28-13-12-26;/h2,4,11,14-15,19,26H,3,5-10,12-13H2,1H3;1H
InChIKeyLDDSCHLOYMZIAO-UHFFFAOYSA-N
XLogP2.37
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

ethyl 4-[3-[4-[2-(oxan-4-yloxy)ethoxy]piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]benzoate
CID 71236972
tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene
CID 166116770
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 82691845
1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 123656548
1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154320676
4-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-2-carboxamide
CID 82691291
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103899127
3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
CID 105062780
1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 173113675
1-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 165380250
1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone
CID 56813543
4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide
CID 56840017

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride (CID 71236690) is 1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride is CC(=O)N1CC=C(c2ccn3c(N4CCC(OCCO)CC4)cnc3c2)CC1.Cl.
What is the InChIKey of 1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride?
The InChIKey is LDDSCHLOYMZIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3.ClH/c1-16(27)23-7-2-17(3-8-23)18-4-11-25-20(14-18)22-15-21(25)24-9-5-19(6-10-24)28-13-12-26;/h2,4,11,14-15,19,26H,3,5-10,12-13H2,1H3;1H.
What are the key properties of 1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride?
1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride has a molecular weight of 420.94 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-(2-hydroxyethoxy)piperidin-1-yl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 71236690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).