N-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C24H27FN6O2S2 — CID 90420666

IUPACN-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C24H27FN6O2S2/c1-4-20-23(28(2)24-27-21(16-34-24)17-5-7-18(25)8-6-17)31-15-19(9-10-22(31)26-20)29-11-13-30(14-12-29)35(3,32)33/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyPLPUMXSABYJOGF-UHFFFAOYSA-N
MW514.65 g/mol
LogP4.01
Rot. Bonds6

About N-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 90420666) has the molecular formula C24H27FN6O2S2 and a molecular weight of 514.65 g/mol. Its IUPAC name is N-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID90420666
Molecular FormulaC24H27FN6O2S2
Molecular Weight514.65 g/mol
Exact Mass514.16
IUPAC NameN-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C24H27FN6O2S2/c1-4-20-23(28(2)24-27-21(16-34-24)17-5-7-18(25)8-6-17)31-15-19(9-10-22(31)26-20)29-11-13-30(14-12-29)35(3,32)33/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyPLPUMXSABYJOGF-UHFFFAOYSA-N
XLogP4.01
TPSA74.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.65
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 90420666) is N-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(N3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is PLPUMXSABYJOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2S2/c1-4-20-23(28(2)24-27-21(16-34-24)17-5-7-18(25)8-6-17)31-15-19(9-10-22(31)26-20)29-11-13-30(14-12-29)35(3,32)33/h5-10,15-16H,4,11-14H2,1-3H3.
What are the key properties of N-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 514.65 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 90420666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).