1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide

C22H30ClN5O2 — CID 45204252

IUPAC1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)C1
InChIInChI=1S/C22H30ClN5O2/c23-17-8-9-19-25-20(22(30)27-11-4-2-1-3-5-12-27)18(28(19)14-17)15-26-10-6-7-16(13-26)21(24)29/h8-9,14,16H,1-7,10-13,15H2,(H2,24,29)
InChIKeyREALEDYSCJEWKP-UHFFFAOYSA-N
MW431.97 g/mol
LogP3.09
Rot. Bonds4

About 1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide

1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide (PubChem CID 45204252) has the molecular formula C22H30ClN5O2 and a molecular weight of 431.97 g/mol. Its IUPAC name is 1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide
PubChem CID45204252
Molecular FormulaC22H30ClN5O2
Molecular Weight431.97 g/mol
Exact Mass431.21
IUPAC Name1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)C1
InChIInChI=1S/C22H30ClN5O2/c23-17-8-9-19-25-20(22(30)27-11-4-2-1-3-5-12-27)18(28(19)14-17)15-26-10-6-7-16(13-26)21(24)29/h8-9,14,16H,1-7,10-13,15H2,(H2,24,29)
InChIKeyREALEDYSCJEWKP-UHFFFAOYSA-N
XLogP3.09
TPSA83.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

methyl (2S)-1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxylate
CID 42286529
[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-[[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 95502478
6-chloro-3-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 95551865
6-chloro-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 56871895
1-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-N,N-diethylpiperidine-3-carboxamide
CID 77087302
3-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-6-chloro-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 29256694
azocan-1-yl-[6-chloro-3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56865999
[3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 56862631
[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
ethyl 1-[(3-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate
CID 16807449
azocan-1-yl-[6-chloro-3-[(3-methylsulfanylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42513954

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide (CID 45204252) is 1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)C1.
What is the InChIKey of 1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide?
The InChIKey is REALEDYSCJEWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN5O2/c23-17-8-9-19-25-20(22(30)27-11-4-2-1-3-5-12-27)18(28(19)14-17)15-26-10-6-7-16(13-26)21(24)29/h8-9,14,16H,1-7,10-13,15H2,(H2,24,29).
What are the key properties of 1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide?
1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide has a molecular weight of 431.97 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45204252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).