1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone

C25H34FN5O2S — CID 170616385

About 1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone

1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone (PubChem CID 170616385) has the molecular formula C25H34FN5O2S and a molecular weight of 487.65 g/mol. Its IUPAC name is 1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone
• PubChem CID: 170616385
• Molecular Formula: C25H34FN5O2S
• Molecular Weight: 487.65 g/mol
• Exact Mass: 487.24
• IUPAC Name: 1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone
• SMILES: COC1=CC2=NCC(c3cc(F)nc(NCC4CCN(C(C)=O)CC4)c3)N2C=C1SC(C)(C)C
• InChI: InChI=1S/C25H34FN5O2S/c1-16(32)30-8-6-17(7-9-30)13-27-23-11-18(10-22(26)29-23)19-14-28-24-12-20(33-5)21(15-31(19)24)34-25(2,3)4/h10-12,15,17,19H,6-9,13-14H2,1-5H3,(H,27,29)
• InChIKey: IZTYZDVOLHCIHX-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 70.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.65
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone (CID 170616385) is 1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone is COC1=CC2=NCC(c3cc(F)nc(NCC4CCN(C(C)=O)CC4)c3)N2C=C1SC(C)(C)C.

What is the InChIKey of 1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone?

The InChIKey is IZTYZDVOLHCIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN5O2S/c1-16(32)30-8-6-17(7-9-30)13-27-23-11-18(10-22(26)29-23)19-14-28-24-12-20(33-5)21(15-31(19)24)34-25(2,3)4/h10-12,15,17,19H,6-9,13-14H2,1-5H3,(H,27,29).

What are the key properties of 1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone?

1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone has a molecular weight of 487.65 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[[4-(6-tert-butylsulfanyl-7-methoxy-2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 170616385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).