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

C27H29FN8O2S2 — CID 137496527

IUPAC2-[[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
SMILESCCc1nc2cnc(N3CCC4(CC3)CN(S(C)(=O)=O)C4)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C27H29FN8O2S2/c1-4-20-25(33(2)26-32-24(21(13-29)39-26)18-5-7-19(28)8-6-18)36-15-23(30-14-22(36)31-20)34-11-9-27(10-12-34)16-35(17-27)40(3,37)38/h5-8,14-15H,4,9-12,16-17H2,1-3H3
InChIKeyXIISWLHFHARILO-UHFFFAOYSA-N
MW580.72 g/mol
LogP4.06
Rot. Bonds6

About 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

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 (PubChem CID 137496527) has the molecular formula C27H29FN8O2S2 and a molecular weight of 580.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID137496527
Molecular FormulaC27H29FN8O2S2
Molecular Weight580.72 g/mol
Exact Mass580.18
IUPAC Name2-[[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
SMILESCCc1nc2cnc(N3CCC4(CC3)CN(S(C)(=O)=O)C4)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C27H29FN8O2S2/c1-4-20-25(33(2)26-32-24(21(13-29)39-26)18-5-7-19(28)8-6-18)36-15-23(30-14-22(36)31-20)34-11-9-27(10-12-34)16-35(17-27)40(3,37)38/h5-8,14-15H,4,9-12,16-17H2,1-3H3
InChIKeyXIISWLHFHARILO-UHFFFAOYSA-N
XLogP4.06
TPSA110.73 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.72
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 90421105
2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 126690062
2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 126690027
2-[[6-[6-[4-(azetidin-3-ylamino)piperidin-1-yl]-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;hydrochloride
CID 164728800
2-[[2-ethyl-6-[6-[4-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 163239518
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
2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 165031516
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
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
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-[[6-[2-[4-(cyclobutylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 163239614

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2cnc(N3CCC4(CC3)CN(S(C)(=O)=O)C4)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 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?
The InChIKey is XIISWLHFHARILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN8O2S2/c1-4-20-25(33(2)26-32-24(21(13-29)39-26)18-5-7-19(28)8-6-18)36-15-23(30-14-22(36)31-20)34-11-9-27(10-12-34)16-35(17-27)40(3,37)38/h5-8,14-15H,4,9-12,16-17H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 580.72 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137496527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).