2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide

C31H35FN8OS — CID 137496649

IUPAC2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide
SMILESCCc1nc2c(C)cc(N3CC4(CCN(CC(=O)N(C)C)C4)C3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C31H35FN8OS/c1-6-24-29(37(5)30-35-27(25(14-33)42-30)21-7-9-22(32)10-8-21)40-15-23(13-20(2)28(40)34-24)39-18-31(19-39)11-12-38(17-31)16-26(41)36(3)4/h7-10,13,15H,6,11-12,16-19H2,1-5H3
InChIKeyNNFYWJPHDMKPJI-UHFFFAOYSA-N
MW586.74 g/mol
LogP4.71
Rot. Bonds7

About 2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide

2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide (PubChem CID 137496649) has the molecular formula C31H35FN8OS and a molecular weight of 586.74 g/mol. Its IUPAC name is 2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide
PubChem CID137496649
Molecular FormulaC31H35FN8OS
Molecular Weight586.74 g/mol
Exact Mass586.26
IUPAC Name2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide
SMILESCCc1nc2c(C)cc(N3CC4(CCN(CC(=O)N(C)C)C4)C3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C31H35FN8OS/c1-6-24-29(37(5)30-35-27(25(14-33)42-30)21-7-9-22(32)10-8-21)40-15-23(13-20(2)28(40)34-24)39-18-31(19-39)11-12-38(17-31)16-26(41)36(3)4/h7-10,13,15H,6,11-12,16-19H2,1-5H3
InChIKeyNNFYWJPHDMKPJI-UHFFFAOYSA-N
XLogP4.71
TPSA84.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.74
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N,N-dimethylacetamide
CID 137496762
2-[[2-ethyl-8-methyl-6-(3-methylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 137496439
2-[[2-ethyl-6-[7-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,7-diazaspiro[3.4]octan-2-yl]-8-methylimidazo[1,2-b]pyridazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 137496666
2-[[6-(2,2-dimethylpiperidin-4-yl)-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 122497275
2-[[6-ethyl-2-[7-[2-(3-isocyanoazetidin-1-yl)-2-oxoethyl]-2,7-diazaspiro[3.4]octan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
CID 165014240
2-[[2-ethyl-6-[4-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 166632934
ethyl 2-[4-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetate
CID 164728824
2-[[2-ethyl-6-(2-methylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 137496527
2-[[2-ethyl-5-[2-(2-hydroxyacetyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267682
2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-8-methylimidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 78427639
2-[[2-ethyl-6-[2-(3-hydroxyazetidin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 163239596
1-[5-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxylic acid
CID 153366317

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide (CID 137496649) is 2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide is CCc1nc2c(C)cc(N3CC4(CCN(CC(=O)N(C)C)C4)C3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide?
The InChIKey is NNFYWJPHDMKPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN8OS/c1-6-24-29(37(5)30-35-27(25(14-33)42-30)21-7-9-22(32)10-8-21)40-15-23(13-20(2)28(40)34-24)39-18-31(19-39)11-12-38(17-31)16-26(41)36(3)4/h7-10,13,15H,6,11-12,16-19H2,1-5H3.
What are the key properties of 2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide?
2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide has a molecular weight of 586.74 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]-2,7-diazaspiro[3.4]octan-7-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 137496649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).