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

C32H37FN8OS — CID 137496762

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[3.5]nonan-7-yl]-N,N-dimethylacetamide
SMILESCCc1nc2c(C)cc(N3CC4(CCN(CC(=O)N(C)C)CC4)C3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C32H37FN8OS/c1-6-25-30(38(5)31-36-28(26(16-34)43-31)22-7-9-23(33)10-8-22)41-17-24(15-21(2)29(41)35-25)40-19-32(20-40)11-13-39(14-12-32)18-27(42)37(3)4/h7-10,15,17H,6,11-14,18-20H2,1-5H3
InChIKeyWIVAIYKTGQLTTA-UHFFFAOYSA-N
MW600.77 g/mol
LogP5.10
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[3.5]nonan-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[3.5]nonan-7-yl]-N,N-dimethylacetamide (PubChem CID 137496762) has the molecular formula C32H37FN8OS and a molecular weight of 600.77 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[3.5]nonan-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[3.5]nonan-7-yl]-N,N-dimethylacetamide
PubChem CID137496762
Molecular FormulaC32H37FN8OS
Molecular Weight600.77 g/mol
Exact Mass600.28
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[3.5]nonan-7-yl]-N,N-dimethylacetamide
SMILESCCc1nc2c(C)cc(N3CC4(CCN(CC(=O)N(C)C)CC4)C3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C32H37FN8OS/c1-6-25-30(38(5)31-36-28(26(16-34)43-31)22-7-9-23(33)10-8-22)41-17-24(15-21(2)29(41)35-25)40-19-32(20-40)11-13-39(14-12-32)18-27(42)37(3)4/h7-10,15,17H,6,11-14,18-20H2,1-5H3
InChIKeyWIVAIYKTGQLTTA-UHFFFAOYSA-N
XLogP5.10
TPSA84.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 55.10
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[3.5]nonan-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[3.4]octan-7-yl]-N,N-dimethylacetamide
CID 137496649
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-[[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-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-[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-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-[[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-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267627
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

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[3.5]nonan-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[3.5]nonan-7-yl]-N,N-dimethylacetamide (CID 137496762) 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[3.5]nonan-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[3.5]nonan-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[3.5]nonan-7-yl]-N,N-dimethylacetamide is CCc1nc2c(C)cc(N3CC4(CCN(CC(=O)N(C)C)CC4)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[3.5]nonan-7-yl]-N,N-dimethylacetamide?
The InChIKey is WIVAIYKTGQLTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN8OS/c1-6-25-30(38(5)31-36-28(26(16-34)43-31)22-7-9-23(33)10-8-22)41-17-24(15-21(2)29(41)35-25)40-19-32(20-40)11-13-39(14-12-32)18-27(42)37(3)4/h7-10,15,17H,6,11-14,18-20H2,1-5H3.
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[3.5]nonan-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[3.5]nonan-7-yl]-N,N-dimethylacetamide has a molecular weight of 600.77 g/mol, XLogP of 5.10, 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[3.5]nonan-7-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 137496762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).