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

C24H27FN6OS2 — CID 134173342

IUPAC4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide
SMILESCCc1nc2ccc(C3CCN(S(N)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C24H27FN6OS2/c1-3-20-23(29(2)24-28-21(15-33-24)17-4-7-19(25)8-5-17)31-14-18(6-9-22(31)27-20)16-10-12-30(13-11-16)34(26)32/h4-9,14-16H,3,10-13,26H2,1-2H3
InChIKeyZPVABEMQRWDRSE-UHFFFAOYSA-N
MW498.65 g/mol
LogP4.64
Rot. Bonds6

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

4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide (PubChem CID 134173342) has the molecular formula C24H27FN6OS2 and a molecular weight of 498.65 g/mol. Its IUPAC name is 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide.

Molecular Properties

Compound Name4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide
PubChem CID134173342
Molecular FormulaC24H27FN6OS2
Molecular Weight498.65 g/mol
Exact Mass498.17
IUPAC Name4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide
SMILESCCc1nc2ccc(C3CCN(S(N)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C24H27FN6OS2/c1-3-20-23(29(2)24-28-21(15-33-24)17-4-7-19(25)8-5-17)31-14-18(6-9-22(31)27-20)16-10-12-30(13-11-16)34(26)32/h4-9,14-16H,3,10-13,26H2,1-2H3
InChIKeyZPVABEMQRWDRSE-UHFFFAOYSA-N
XLogP4.64
TPSA79.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide?
The IUPAC name of 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide (CID 134173342) is 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide.
What is the SMILES notation for 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide?
The canonical SMILES for 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide is CCc1nc2ccc(C3CCN(S(N)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide?
The InChIKey is ZPVABEMQRWDRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6OS2/c1-3-20-23(29(2)24-28-21(15-33-24)17-4-7-19(25)8-5-17)31-14-18(6-9-22(31)27-20)16-10-12-30(13-11-16)34(26)32/h4-9,14-16H,3,10-13,26H2,1-2H3.
What are the key properties of 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide?
4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide has a molecular weight of 498.65 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide is sourced from PubChem (CID 134173342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).