4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide

C30H29F2N5O2S2 — CID 142728675

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

4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide (PubChem CID 142728675) has the molecular formula C30H29F2N5O2S2 and a molecular weight of 593.73 g/mol. Its IUPAC name is 4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide.

Molecular Properties

• Compound Name: 4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide
• PubChem CID: 142728675
• Molecular Formula: C30H29F2N5O2S2
• Molecular Weight: 593.73 g/mol
• Exact Mass: 593.17
• IUPAC Name: 4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide
• SMILES: CCc1nc2ccc(C3CCN(S(N)(=O)=O)CC3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1F
• InChI: InChI=1S/C30H29F2N5O2S2/c1-3-25-29(37-16-21(6-11-27(37)34-25)19-12-14-36(15-13-19)41(33,38)39)24-10-9-23(18(2)28(24)32)30-35-26(17-40-30)20-4-7-22(31)8-5-20/h4-11,16-17,19H,3,12-15H2,1-2H3,(H2,33,38,39)
• InChIKey: FAQODIRXGJRXCU-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 93.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.73
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide?

The IUPAC name of 4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide (CID 142728675) is 4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide.

What is the SMILES notation for 4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide?

The canonical SMILES for 4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide is CCc1nc2ccc(C3CCN(S(N)(=O)=O)CC3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1F.

What is the InChIKey of 4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide?

The InChIKey is FAQODIRXGJRXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N5O2S2/c1-3-25-29(37-16-21(6-11-27(37)34-25)19-12-14-36(15-13-19)41(33,38)39)24-10-9-23(18(2)28(24)32)30-35-26(17-40-30)20-4-7-22(31)8-5-20/h4-11,16-17,19H,3,12-15H2,1-2H3,(H2,33,38,39).

What are the key properties of 4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide?

4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide has a molecular weight of 593.73 g/mol, XLogP of 6.32, 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-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 142728675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).