ethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C27H25FN6S — CID 163239466

IUPACethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCC.CCc1nc2ccc(-c3cccnc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C25H19FN6S.C2H6/c1-3-20-24(32-15-18(8-11-22(32)29-20)17-5-4-12-28-14-17)31(2)25-30-23(21(13-27)33-25)16-6-9-19(26)10-7-16;1-2/h4-12,14-15H,3H2,1-2H3;1-2H3
InChIKeyGVKRTOYQFYKOHW-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.89
Rot. Bonds5

About ethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

ethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 163239466) has the molecular formula C27H25FN6S and a molecular weight of 484.60 g/mol. Its IUPAC name is ethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Nameethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID163239466
Molecular FormulaC27H25FN6S
Molecular Weight484.60 g/mol
Exact Mass484.18
IUPAC Nameethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCC.CCc1nc2ccc(-c3cccnc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C25H19FN6S.C2H6/c1-3-20-24(32-15-18(8-11-22(32)29-20)17-5-4-12-28-14-17)31(2)25-30-23(21(13-27)33-25)16-6-9-19(26)10-7-16;1-2/h4-12,14-15H,3H2,1-2H3;1-2H3
InChIKeyGVKRTOYQFYKOHW-UHFFFAOYSA-N
XLogP6.89
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 126690062
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
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-(3-cyclopropyl-2-oxopropyl)pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 165061506
2-[[6-[2-[3-(azetidin-3-ylamino)azetidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 163239579
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
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-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 90421105
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
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-[[6-[2-[4-(azetidin-3-ylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;hydrochloride
CID 164728770
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

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 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) is ethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for ethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for ethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CC.CCc1nc2ccc(-c3cccnc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of ethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is GVKRTOYQFYKOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6S.C2H6/c1-3-20-24(32-15-18(8-11-22(32)29-20)17-5-4-12-28-14-17)31(2)25-30-23(21(13-27)33-25)16-6-9-19(26)10-7-16;1-2/h4-12,14-15H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
ethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 484.60 g/mol, XLogP of 6.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(2-ethyl-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 163239466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).