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

C24H26FN5OS — CID 90420438

IUPAC1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol
SMILESCCc1nc2ccc(N3CCC(O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C24H26FN5OS/c1-3-20-23(28(2)24-27-21(15-32-24)16-4-6-17(25)7-5-16)30-14-18(8-9-22(30)26-20)29-12-10-19(31)11-13-29/h4-9,14-15,19,31H,3,10-13H2,1-2H3
InChIKeyUETQGPILAFARDJ-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.89
Rot. Bonds5

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

1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol (PubChem CID 90420438) has the molecular formula C24H26FN5OS and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol
PubChem CID90420438
Molecular FormulaC24H26FN5OS
Molecular Weight451.57 g/mol
Exact Mass451.18
IUPAC Name1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol
SMILESCCc1nc2ccc(N3CCC(O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C24H26FN5OS/c1-3-20-23(28(2)24-27-21(15-32-24)16-4-6-17(25)7-5-16)30-14-18(8-9-22(30)26-20)29-12-10-19(31)11-13-29/h4-9,14-15,19,31H,3,10-13H2,1-2H3
InChIKeyUETQGPILAFARDJ-UHFFFAOYSA-N
XLogP4.89
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol?
The IUPAC name of 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol (CID 90420438) is 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol is CCc1nc2ccc(N3CCC(O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol?
The InChIKey is UETQGPILAFARDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5OS/c1-3-20-23(28(2)24-27-21(15-32-24)16-4-6-17(25)7-5-16)30-14-18(8-9-22(30)26-20)29-12-10-19(31)11-13-29/h4-9,14-15,19,31H,3,10-13H2,1-2H3.
What are the key properties of 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol?
1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol has a molecular weight of 451.57 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-4-ol is sourced from PubChem (CID 90420438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).