(E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide

C25H30F2N6O3S — CID 178094106

About (E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide

(E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide (PubChem CID 178094106) has the molecular formula C25H30F2N6O3S and a molecular weight of 532.62 g/mol. Its IUPAC name is (E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide.

Molecular Properties

• Compound Name: (E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide
• PubChem CID: 178094106
• Molecular Formula: C25H30F2N6O3S
• Molecular Weight: 532.62 g/mol
• Exact Mass: 532.21
• IUPAC Name: (E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide
• SMILES: C/N=C/C(=C\N)S(=O)Nc1cc(-c2cnc3cc(OC)c(C4(F)CCN(C)CC4)cn23)cc(F)c1OC
• InChI: InChI=1S/C25H30F2N6O3S/c1-29-13-17(12-28)37(34)31-20-10-16(9-19(26)24(20)36-4)21-14-30-23-11-22(35-3)18(15-33(21)23)25(27)5-7-32(2)8-6-25/h9-15,31H,5-8,28H2,1-4H3/b17-12+,29-13+
• InChIKey: OGMYCTVZZMJRAZ-WMVLRXSMSA-N
• XLogP: 3.62
• TPSA: 106.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.62
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide?

The IUPAC name of (E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide (CID 178094106) is (E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide.

What is the SMILES notation for (E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide?

The canonical SMILES for (E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide is C/N=C/C(=C\N)S(=O)Nc1cc(-c2cnc3cc(OC)c(C4(F)CCN(C)CC4)cn23)cc(F)c1OC.

What is the InChIKey of (E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide?

The InChIKey is OGMYCTVZZMJRAZ-WMVLRXSMSA-N. The full InChI is InChI=1S/C25H30F2N6O3S/c1-29-13-17(12-28)37(34)31-20-10-16(9-19(26)24(20)36-4)21-14-30-23-11-22(35-3)18(15-33(21)23)25(27)5-7-32(2)8-6-25/h9-15,31H,5-8,28H2,1-4H3/b17-12+,29-13+.

What are the key properties of (E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide?

(E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide has a molecular weight of 532.62 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide is sourced from PubChem (CID 178094106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).