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

C27H33F2N5O2 — CID 171065696

IUPAC1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
SMILESCNCc1cnc2ccc(-c3ccc(F)c(F)c3OCCc3c(C(O)C(C)(C)C)nn(C)c3C)cn12
InChIInChI=1S/C27H33F2N5O2/c1-16-19(24(32-33(16)6)26(35)27(2,3)4)11-12-36-25-20(8-9-21(28)23(25)29)17-7-10-22-31-14-18(13-30-5)34(22)15-17/h7-10,14-15,26,30,35H,11-13H2,1-6H3
InChIKeyBXIHXITXQCGGOW-UHFFFAOYSA-N
MW497.59 g/mol
LogP4.74
Rot. Bonds8

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

1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol (PubChem CID 171065696) has the molecular formula C27H33F2N5O2 and a molecular weight of 497.59 g/mol. Its IUPAC name is 1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
PubChem CID171065696
Molecular FormulaC27H33F2N5O2
Molecular Weight497.59 g/mol
Exact Mass497.26
IUPAC Name1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
SMILESCNCc1cnc2ccc(-c3ccc(F)c(F)c3OCCc3c(C(O)C(C)(C)C)nn(C)c3C)cn12
InChIInChI=1S/C27H33F2N5O2/c1-16-19(24(32-33(16)6)26(35)27(2,3)4)11-12-36-25-20(8-9-21(28)23(25)29)17-7-10-22-31-14-18(13-30-5)34(22)15-17/h7-10,14-15,26,30,35H,11-13H2,1-6H3
InChIKeyBXIHXITXQCGGOW-UHFFFAOYSA-N
XLogP4.74
TPSA76.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2,3-difluoro-6-[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-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol (CID 171065696) is 1-[4-[2-[2,3-difluoro-6-[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-[2,3-difluoro-6-[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-[2,3-difluoro-6-[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)c(F)c3OCCc3c(C(O)C(C)(C)C)nn(C)c3C)cn12.
What is the InChIKey of 1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is BXIHXITXQCGGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N5O2/c1-16-19(24(32-33(16)6)26(35)27(2,3)4)11-12-36-25-20(8-9-21(28)23(25)29)17-7-10-22-31-14-18(13-30-5)34(22)15-17/h7-10,14-15,26,30,35H,11-13H2,1-6H3.
What are the key properties of 1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?
1-[4-[2-[2,3-difluoro-6-[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 497.59 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2,3-difluoro-6-[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 171065696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).