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2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid

C26H28FN5O4S2 — CID 130272826

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)O)s1
InChIInChI=1S/C26H28FN5O4S2/c1-4-20-24(30(2)26-29-22(23(37-26)25(33)34)17-5-8-19(27)9-6-17)32-15-18(7-10-21(32)28-20)16-11-13-31(14-12-16)38(3,35)36/h5-10,15-16H,4,11-14H2,1-3H3,(H,33,34)
InChIKeyGCHQCVNNAYHADX-UHFFFAOYSA-N
MW557.67 g/mol
LogP4.76
Rot. Bonds7

About 2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid

2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 130272826) has the molecular formula C26H28FN5O4S2 and a molecular weight of 557.67 g/mol. Its IUPAC name is 2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID130272826
Molecular FormulaC26H28FN5O4S2
Molecular Weight557.67 g/mol
Exact Mass557.16
IUPAC Name2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)O)s1
InChIInChI=1S/C26H28FN5O4S2/c1-4-20-24(30(2)26-29-22(23(37-26)25(33)34)17-5-8-19(27)9-6-17)32-15-18(7-10-21(32)28-20)16-11-13-31(14-12-16)38(3,35)36/h5-10,15-16H,4,11-14H2,1-3H3,(H,33,34)
InChIKeyGCHQCVNNAYHADX-UHFFFAOYSA-N
XLogP4.76
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.67
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid (CID 130272826) is 2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid is CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)O)s1.
What is the InChIKey of 2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is GCHQCVNNAYHADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O4S2/c1-4-20-24(30(2)26-29-22(23(37-26)25(33)34)17-5-8-19(27)9-6-17)32-15-18(7-10-21(32)28-20)16-11-13-31(14-12-16)38(3,35)36/h5-10,15-16H,4,11-14H2,1-3H3,(H,33,34).
What are the key properties of 2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 557.67 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 130272826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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