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

C31H36FN7O2S2 — CID 137496439

IUPAC2-[[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
SMILESCCc1nc2c(C)cc(N3CCC4(CC3)CCN(S(C)(=O)=O)CC4)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C31H36FN7O2S2/c1-5-25-29(36(3)30-35-27(26(19-33)42-30)22-6-8-23(32)9-7-22)39-20-24(18-21(2)28(39)34-25)37-14-10-31(11-15-37)12-16-38(17-13-31)43(4,40)41/h6-9,18,20H,5,10-17H2,1-4H3
InChIKeyUCYDIRBUNVBFSA-UHFFFAOYSA-N
MW621.81 g/mol
LogP5.75
Rot. Bonds6

About 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

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 (PubChem CID 137496439) has the molecular formula C31H36FN7O2S2 and a molecular weight of 621.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID137496439
Molecular FormulaC31H36FN7O2S2
Molecular Weight621.81 g/mol
Exact Mass621.24
IUPAC Name2-[[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
SMILESCCc1nc2c(C)cc(N3CCC4(CC3)CCN(S(C)(=O)=O)CC4)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C31H36FN7O2S2/c1-5-25-29(36(3)30-35-27(26(19-33)42-30)22-6-8-23(32)9-7-22)39-20-24(18-21(2)28(39)34-25)37-14-10-31(11-15-37)12-16-38(17-13-31)43(4,40)41/h6-9,18,20H,5,10-17H2,1-4H3
InChIKeyUCYDIRBUNVBFSA-UHFFFAOYSA-N
XLogP5.75
TPSA97.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.81
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

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-[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-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-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 90421105
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-[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-[[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
2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 126690062
ethane;2-[[2-ethyl-6-(1-methylsulfinylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 144700833
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
ethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 163239466
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2c(C)cc(N3CCC4(CC3)CCN(S(C)(=O)=O)CC4)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 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?
The InChIKey is UCYDIRBUNVBFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN7O2S2/c1-5-25-29(36(3)30-35-27(26(19-33)42-30)22-6-8-23(32)9-7-22)39-20-24(18-21(2)28(39)34-25)37-14-10-31(11-15-37)12-16-38(17-13-31)43(4,40)41/h6-9,18,20H,5,10-17H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 621.81 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137496439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).