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

C29H35F2N5O2 — CID 178168735

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

2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol (PubChem CID 178168735) has the molecular formula C29H35F2N5O2 and a molecular weight of 523.63 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol
• PubChem CID: 178168735
• Molecular Formula: C29H35F2N5O2
• Molecular Weight: 523.63 g/mol
• Exact Mass: 523.28
• IUPAC Name: 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol
• SMILES: CNCc1cnc2ccc(-c3ccc(F)c(F)c3OCCc3c(C(O)C(C)(C)C4CC4)nn(C)c3C)cn12
• InChI: InChI=1S/C29H35F2N5O2/c1-17-21(26(34-35(17)5)28(37)29(2,3)19-7-8-19)12-13-38-27-22(9-10-23(30)25(27)31)18-6-11-24-33-15-20(14-32-4)36(24)16-18/h6,9-11,15-16,19,28,32,37H,7-8,12-14H2,1-5H3
• InChIKey: BLLOVDALUSKWIT-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 76.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.63
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol (CID 178168735) is 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol.

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

The canonical SMILES for 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol is CNCc1cnc2ccc(-c3ccc(F)c(F)c3OCCc3c(C(O)C(C)(C)C4CC4)nn(C)c3C)cn12.

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

The InChIKey is BLLOVDALUSKWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F2N5O2/c1-17-21(26(34-35(17)5)28(37)29(2,3)19-7-8-19)12-13-38-27-22(9-10-23(30)25(27)31)18-6-11-24-33-15-20(14-32-4)36(24)16-18/h6,9-11,15-16,19,28,32,37H,7-8,12-14H2,1-5H3.

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

2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol has a molecular weight of 523.63 g/mol, XLogP of 5.13, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 178168735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).