imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone

C20H25N5O2S — CID 96535101

IUPACimidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
SMILESCO[C@@H](C)c1nc(CN2CCCN(C(=O)c3ccc4nccn4c3)CC2)cs1
InChIInChI=1S/C20H25N5O2S/c1-15(27-2)19-22-17(14-28-19)13-23-7-3-8-24(11-10-23)20(26)16-4-5-18-21-6-9-25(18)12-16/h4-6,9,12,14-15H,3,7-8,10-11,13H2,1-2H3/t15-/m0/s1
InChIKeyFLTTXIJRULXIBG-HNNXBMFYSA-N
MW399.52 g/mol
LogP2.85
Rot. Bonds5

About imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone

imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 96535101) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
PubChem CID96535101
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Nameimidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
SMILESCO[C@@H](C)c1nc(CN2CCCN(C(=O)c3ccc4nccn4c3)CC2)cs1
InChIInChI=1S/C20H25N5O2S/c1-15(27-2)19-22-17(14-28-19)13-23-7-3-8-24(11-10-23)20(26)16-4-5-18-21-6-9-25(18)12-16/h4-6,9,12,14-15H,3,7-8,10-11,13H2,1-2H3/t15-/m0/s1
InChIKeyFLTTXIJRULXIBG-HNNXBMFYSA-N
XLogP2.85
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 96535103
1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120853138
imidazo[1,2-a]pyridin-6-yl-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 56785307
N-(3-chloro-4-fluorophenyl)-2-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]acetamide
CID 96535025
2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole
CID 95789668
(3,4-dimethoxyphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470579
(6-methoxy-3-pyridinyl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56824064
4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole
CID 120853137
[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 111612856
(3,4-dimethoxyphenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30463113
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-(4-pyrimidin-2-ylphenyl)methanone
CID 119066976
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]methanone
CID 95752102

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone (CID 96535101) is imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone is CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3ccc4nccn4c3)CC2)cs1.
What is the InChIKey of imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is FLTTXIJRULXIBG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-15(27-2)19-22-17(14-28-19)13-23-7-3-8-24(11-10-23)20(26)16-4-5-18-21-6-9-25(18)12-16/h4-6,9,12,14-15H,3,7-8,10-11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone?
imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 399.52 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-6-yl-[4-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 96535101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).