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

C30H37FN6O3S2 — CID 90446833

IUPACN-[2-ethyl-6-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(=O)(=O)CCN4CCOCC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C30H37FN6O3S2/c1-3-26-29(34(2)30-33-27(21-41-30)23-4-7-25(31)8-5-23)37-20-24(6-9-28(37)32-26)22-10-12-36(13-11-22)42(38,39)19-16-35-14-17-40-18-15-35/h4-9,20-22H,3,10-19H2,1-2H3
InChIKeyQNJYROLHTDKJEE-UHFFFAOYSA-N
MW612.80 g/mol
LogP4.77
Rot. Bonds9

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

N-[2-ethyl-6-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 90446833) has the molecular formula C30H37FN6O3S2 and a molecular weight of 612.80 g/mol. Its IUPAC name is N-[2-ethyl-6-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-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-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID90446833
Molecular FormulaC30H37FN6O3S2
Molecular Weight612.80 g/mol
Exact Mass612.24
IUPAC NameN-[2-ethyl-6-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(=O)(=O)CCN4CCOCC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C30H37FN6O3S2/c1-3-26-29(34(2)30-33-27(21-41-30)23-4-7-25(31)8-5-23)37-20-24(6-9-28(37)32-26)22-10-12-36(13-11-22)42(38,39)19-16-35-14-17-40-18-15-35/h4-9,20-22H,3,10-19H2,1-2H3
InChIKeyQNJYROLHTDKJEE-UHFFFAOYSA-N
XLogP4.77
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.80
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[2-ethyl-6-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-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-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 90446833) is N-[2-ethyl-6-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-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-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-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-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3CCN(S(=O)(=O)CCN4CCOCC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[2-ethyl-6-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is QNJYROLHTDKJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN6O3S2/c1-3-26-29(34(2)30-33-27(21-41-30)23-4-7-25(31)8-5-23)37-20-24(6-9-28(37)32-26)22-10-12-36(13-11-22)42(38,39)19-16-35-14-17-40-18-15-35/h4-9,20-22H,3,10-19H2,1-2H3.
What are the key properties of N-[2-ethyl-6-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-[2-ethyl-6-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 612.80 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 90446833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).