N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide

C25H25FN6O3S — CID 143527806

About N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide

N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 143527806) has the molecular formula C25H25FN6O3S and a molecular weight of 508.58 g/mol. Its IUPAC name is N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
• PubChem CID: 143527806
• Molecular Formula: C25H25FN6O3S
• Molecular Weight: 508.58 g/mol
• Exact Mass: 508.17
• IUPAC Name: N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
• SMILES: CC(=O)Nc1cn2cc(-c3cnc(N)c(S(=O)N4CCC(Oc5ccc(F)cc5)CC4)c3)ccc2n1
• InChI: InChI=1S/C25H25FN6O3S/c1-16(33)29-23-15-31-14-17(2-7-24(31)30-23)18-12-22(25(27)28-13-18)36(34)32-10-8-21(9-11-32)35-20-5-3-19(26)4-6-20/h2-7,12-15,21H,8-11H2,1H3,(H2,27,28)(H,29,33)
• InChIKey: DUABHZKSPRQVHG-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 114.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.58
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide?

The IUPAC name of N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide (CID 143527806) is N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide.

What is the SMILES notation for N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide?

The canonical SMILES for N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide is CC(=O)Nc1cn2cc(-c3cnc(N)c(S(=O)N4CCC(Oc5ccc(F)cc5)CC4)c3)ccc2n1.

What is the InChIKey of N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide?

The InChIKey is DUABHZKSPRQVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3S/c1-16(33)29-23-15-31-14-17(2-7-24(31)30-23)18-12-22(25(27)28-13-18)36(34)32-10-8-21(9-11-32)35-20-5-3-19(26)4-6-20/h2-7,12-15,21H,8-11H2,1H3,(H2,27,28)(H,29,33).

What are the key properties of N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide?

N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 508.58 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[6-amino-5-[4-(4-fluorophenoxy)piperidin-1-yl]sulfinyl-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 143527806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).