[6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C22H32ClN5O3 — CID 74558862

IUPAC[6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCN2CCC(O)CC2)CC(C)O1
InChIInChI=1S/C22H32ClN5O3/c1-15-12-27(13-16(2)31-15)22(30)21-19(28-14-17(23)3-4-20(28)25-21)11-24-7-10-26-8-5-18(29)6-9-26/h3-4,14-16,18,24,29H,5-13H2,1-2H3
InChIKeyUJCSGKGTLPIVAB-UHFFFAOYSA-N
MW449.98 g/mol
LogP1.78
Rot. Bonds6

About [6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 74558862) has the molecular formula C22H32ClN5O3 and a molecular weight of 449.98 g/mol. Its IUPAC name is [6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID74558862
Molecular FormulaC22H32ClN5O3
Molecular Weight449.98 g/mol
Exact Mass449.22
IUPAC Name[6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCN2CCC(O)CC2)CC(C)O1
InChIInChI=1S/C22H32ClN5O3/c1-15-12-27(13-16(2)31-15)22(30)21-19(28-14-17(23)3-4-20(28)25-21)11-24-7-10-26-8-5-18(29)6-9-26/h3-4,14-16,18,24,29H,5-13H2,1-2H3
InChIKeyUJCSGKGTLPIVAB-UHFFFAOYSA-N
XLogP1.78
TPSA82.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 45235579
azocan-1-yl-[6-chloro-3-[(2-pyrazol-1-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42591908
[6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 42512316
azocan-1-yl-[6-chloro-3-[(3-methylsulfanylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42513954
[6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 29182467
[6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24817599
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3-ethoxypropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45173477
[6-chloro-3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42513030
azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42512739
azocan-1-yl-[6-chloro-3-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 25287105
6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 56879033
1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide
CID 45204252

Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 74558862) is [6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCN2CCC(O)CC2)CC(C)O1.
What is the InChIKey of [6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is UJCSGKGTLPIVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN5O3/c1-15-12-27(13-16(2)31-15)22(30)21-19(28-14-17(23)3-4-20(28)25-21)11-24-7-10-26-8-5-18(29)6-9-26/h3-4,14-16,18,24,29H,5-13H2,1-2H3.
What are the key properties of [6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 449.98 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 74558862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).