2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone

C28H33FN6OS — CID 90421240

IUPAC2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone
SMILESCCc1nc2ccc(C3CCN(C(=O)CN(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C28H33FN6OS/c1-5-23-27(33(4)28-31-24(18-37-28)20-6-9-22(29)10-7-20)35-16-21(8-11-25(35)30-23)19-12-14-34(15-13-19)26(36)17-32(2)3/h6-11,16,18-19H,5,12-15,17H2,1-4H3
InChIKeyNJZNRJUETMYVIR-UHFFFAOYSA-N
MW520.68 g/mol
LogP5.19
Rot. Bonds7

About 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone

2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone (PubChem CID 90421240) has the molecular formula C28H33FN6OS and a molecular weight of 520.68 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone
PubChem CID90421240
Molecular FormulaC28H33FN6OS
Molecular Weight520.68 g/mol
Exact Mass520.24
IUPAC Name2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone
SMILESCCc1nc2ccc(C3CCN(C(=O)CN(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C28H33FN6OS/c1-5-23-27(33(4)28-31-24(18-37-28)20-6-9-22(29)10-7-20)35-16-21(8-11-25(35)30-23)19-12-14-34(15-13-19)26(36)17-32(2)3/h6-11,16,18-19H,5,12-15,17H2,1-4H3
InChIKeyNJZNRJUETMYVIR-UHFFFAOYSA-N
XLogP5.19
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone (CID 90421240) is 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone is CCc1nc2ccc(C3CCN(C(=O)CN(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone?
The InChIKey is NJZNRJUETMYVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN6OS/c1-5-23-27(33(4)28-31-24(18-37-28)20-6-9-22(29)10-7-20)35-16-21(8-11-25(35)30-23)19-12-14-34(15-13-19)26(36)17-32(2)3/h6-11,16,18-19H,5,12-15,17H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone?
2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone has a molecular weight of 520.68 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90421240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).