[3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone

C22H29N5OS — CID 26396904

IUPAC[3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
SMILESCc1nc([C@H](C)NCc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)c(C)s1
InChIInChI=1S/C22H29N5OS/c1-14-9-8-12-27-18(13-23-15(2)19-16(3)29-17(4)24-19)20(25-21(14)27)22(28)26-10-6-5-7-11-26/h8-9,12,15,23H,5-7,10-11,13H2,1-4H3/t15-/m0/s1
InChIKeyJAAQGUOJZWPCFD-HNNXBMFYSA-N
MW411.58 g/mol
LogP4.19
Rot. Bonds5

About [3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone

[3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone (PubChem CID 26396904) has the molecular formula C22H29N5OS and a molecular weight of 411.58 g/mol. Its IUPAC name is [3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
PubChem CID26396904
Molecular FormulaC22H29N5OS
Molecular Weight411.58 g/mol
Exact Mass411.21
IUPAC Name[3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
SMILESCc1nc([C@H](C)NCc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)c(C)s1
InChIInChI=1S/C22H29N5OS/c1-14-9-8-12-27-18(13-23-15(2)19-16(3)29-17(4)24-19)20(25-21(14)27)22(28)26-10-6-5-7-11-26/h8-9,12,15,23H,5-7,10-11,13H2,1-4H3/t15-/m0/s1
InChIKeyJAAQGUOJZWPCFD-HNNXBMFYSA-N
XLogP4.19
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.58
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 42196675
[8-methyl-3-[[[(2S)-1-pyridin-3-ylpropan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 26404280
[8-methyl-3-[(1-pyridin-3-ylpropan-2-ylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 45249556
methyl 2-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-4-methylsulfanylbutanoate
CID 45180585
[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56862032
[3-[(3-hydroxyazetidin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56863813
[3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 26395566
[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56861689
1-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-2-carboxamide
CID 56879410
[5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 45212751
[8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56863882
azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42098612

Frequently Asked Questions

What is the IUPAC name of [3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone (CID 26396904) is [3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone is Cc1nc([C@H](C)NCc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)c(C)s1.
What is the InChIKey of [3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is JAAQGUOJZWPCFD-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H29N5OS/c1-14-9-8-12-27-18(13-23-15(2)19-16(3)29-17(4)24-19)20(25-21(14)27)22(28)26-10-6-5-7-11-26/h8-9,12,15,23H,5-7,10-11,13H2,1-4H3/t15-/m0/s1.
What are the key properties of [3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
[3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 411.58 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 26396904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).