azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

C20H29ClN4O2 — CID 56865999

IUPACazocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCC(CO)N(C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12
InChIInChI=1S/C20H29ClN4O2/c1-15(14-26)23(2)13-17-19(22-18-9-8-16(21)12-25(17)18)20(27)24-10-6-4-3-5-7-11-24/h8-9,12,15,26H,3-7,10-11,13-14H2,1-2H3
InChIKeyJTUAEYKOJPKHJM-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.21
Rot. Bonds5

About azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 56865999) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID56865999
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Nameazocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCC(CO)N(C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12
InChIInChI=1S/C20H29ClN4O2/c1-15(14-26)23(2)13-17-19(22-18-9-8-16(21)12-25(17)18)20(27)24-10-6-4-3-5-7-11-24/h8-9,12,15,26H,3-7,10-11,13-14H2,1-2H3
InChIKeyJTUAEYKOJPKHJM-UHFFFAOYSA-N
XLogP3.21
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 29214811
azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42098612
azocan-1-yl-[6-chloro-3-[(3-methylsulfanylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42513954
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
azocan-1-yl-[6-chloro-3-[[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 95502478
[6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 28665695
azocan-1-yl-[6-chloro-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42512739
[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56862032
azocan-1-yl-[6-chloro-3-[(2-pyrazol-1-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42591908
methyl (2S)-1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxylate
CID 42286529
1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide
CID 45204252
1-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-N,N-diethylpiperidine-3-carboxamide
CID 77087302

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 56865999) is azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is CC(CO)N(C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12.
What is the InChIKey of azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is JTUAEYKOJPKHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O2/c1-15(14-26)23(2)13-17-19(22-18-9-8-16(21)12-25(17)18)20(27)24-10-6-4-3-5-7-11-24/h8-9,12,15,26H,3-7,10-11,13-14H2,1-2H3.
What are the key properties of azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 392.93 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 56865999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).