1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol

C28H35F2N5O2 — CID 171065712

IUPAC1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
SMILESCc1c(CCOc2c(-c3ccc4ncc(CN(C)C)n4c3)ccc(F)c2F)c(C(O)C(C)(C)C)nn1C
InChIInChI=1S/C28H35F2N5O2/c1-17-20(25(32-34(17)7)27(36)28(2,3)4)12-13-37-26-21(9-10-22(29)24(26)30)18-8-11-23-31-14-19(16-33(5)6)35(23)15-18/h8-11,14-15,27,36H,12-13,16H2,1-7H3
InChIKeyQOYCBPPQTKCTOT-UHFFFAOYSA-N
MW511.62 g/mol
LogP5.08
Rot. Bonds8

About 1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol

1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol (PubChem CID 171065712) has the molecular formula C28H35F2N5O2 and a molecular weight of 511.62 g/mol. Its IUPAC name is 1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
PubChem CID171065712
Molecular FormulaC28H35F2N5O2
Molecular Weight511.62 g/mol
Exact Mass511.28
IUPAC Name1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
SMILESCc1c(CCOc2c(-c3ccc4ncc(CN(C)C)n4c3)ccc(F)c2F)c(C(O)C(C)(C)C)nn1C
InChIInChI=1S/C28H35F2N5O2/c1-17-20(25(32-34(17)7)27(36)28(2,3)4)12-13-37-26-21(9-10-22(29)24(26)30)18-8-11-23-31-14-19(16-33(5)6)35(23)15-18/h8-11,14-15,27,36H,12-13,16H2,1-7H3
InChIKeyQOYCBPPQTKCTOT-UHFFFAOYSA-N
XLogP5.08
TPSA67.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol (CID 171065712) is 1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol is Cc1c(CCOc2c(-c3ccc4ncc(CN(C)C)n4c3)ccc(F)c2F)c(C(O)C(C)(C)C)nn1C.
What is the InChIKey of 1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is QOYCBPPQTKCTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F2N5O2/c1-17-20(25(32-34(17)7)27(36)28(2,3)4)12-13-37-26-21(9-10-22(29)24(26)30)18-8-11-23-31-14-19(16-33(5)6)35(23)15-18/h8-11,14-15,27,36H,12-13,16H2,1-7H3.
What are the key properties of 1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?
1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 511.62 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 171065712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).