1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol

C27H34FN5O2 — CID 171065693

About 1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol

1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol (PubChem CID 171065693) has the molecular formula C27H34FN5O2 and a molecular weight of 479.60 g/mol. Its IUPAC name is 1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

• Compound Name: 1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
• PubChem CID: 171065693
• Molecular Formula: C27H34FN5O2
• Molecular Weight: 479.60 g/mol
• Exact Mass: 479.27
• IUPAC Name: 1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
• SMILES: CNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(O)C(C)(C)C)nn(C)c3C)cn12
• InChI: InChI=1S/C27H34FN5O2/c1-17-21(25(31-32(17)6)26(34)27(2,3)4)11-12-35-23-13-19(28)8-9-22(23)18-7-10-24-30-15-20(14-29-5)33(24)16-18/h7-10,13,15-16,26,29,34H,11-12,14H2,1-6H3
• InChIKey: YMWRQXXDZHZZBA-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 76.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.60
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?

The IUPAC name of 1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol (CID 171065693) is 1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol.

What is the SMILES notation for 1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?

The canonical SMILES for 1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol is CNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(C(O)C(C)(C)C)nn(C)c3C)cn12.

What is the InChIKey of 1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?

The InChIKey is YMWRQXXDZHZZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O2/c1-17-21(25(31-32(17)6)26(34)27(2,3)4)11-12-35-23-13-19(28)8-9-22(23)18-7-10-24-30-15-20(14-29-5)33(24)16-18/h7-10,13,15-16,26,29,34H,11-12,14H2,1-6H3.

What are the key properties of 1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?

1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 479.60 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 171065693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).