[6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C24H35ClN4O2 — CID 42512316

IUPAC[6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN(C)CCCC2CCCC2)C[C@H](C)O1
InChIInChI=1S/C24H35ClN4O2/c1-17-13-28(14-18(2)31-17)24(30)23-21(29-15-20(25)10-11-22(29)26-23)16-27(3)12-6-9-19-7-4-5-8-19/h10-11,15,17-19H,4-9,12-14,16H2,1-3H3/t17-,18+
InChIKeyIAGDSDASXIPLFT-HDICACEKSA-N
MW447.02 g/mol
LogP4.64
Rot. Bonds7

About [6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

[6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 42512316) has the molecular formula C24H35ClN4O2 and a molecular weight of 447.02 g/mol. Its IUPAC name is [6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID42512316
Molecular FormulaC24H35ClN4O2
Molecular Weight447.02 g/mol
Exact Mass446.24
IUPAC Name[6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN(C)CCCC2CCCC2)C[C@H](C)O1
InChIInChI=1S/C24H35ClN4O2/c1-17-13-28(14-18(2)31-17)24(30)23-21(29-15-20(25)10-11-22(29)26-23)16-27(3)12-6-9-19-7-4-5-8-19/h10-11,15,17-19H,4-9,12-14,16H2,1-3H3/t17-,18+
InChIKeyIAGDSDASXIPLFT-HDICACEKSA-N
XLogP4.64
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.02
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[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-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 74558862
[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-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 29214811
[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-[[1-hydroxypropan-2-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56865999
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
6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 56879033
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
[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
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-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [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) is [6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN(C)CCCC2CCCC2)C[C@H](C)O1.
What is the InChIKey of [6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is IAGDSDASXIPLFT-HDICACEKSA-N. The full InChI is InChI=1S/C24H35ClN4O2/c1-17-13-28(14-18(2)31-17)24(30)23-21(29-15-20(25)10-11-22(29)26-23)16-27(3)12-6-9-19-7-4-5-8-19/h10-11,15,17-19H,4-9,12-14,16H2,1-3H3/t17-,18+.
What are the key properties of [6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 447.02 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 42512316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).