1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone

C26H19F5N4O2 — CID 158566802

IUPAC1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1nn(C)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C26H19F5N4O2/c1-14-24(22(36)12-20-16-11-15(26(29,30)31)8-9-21(16)34(2)33-20)35-10-4-7-23(25(35)32-14)37-13-17-18(27)5-3-6-19(17)28/h3-11H,12-13H2,1-2H3
InChIKeyHROUIKLIWVUPHM-UHFFFAOYSA-N
MW514.45 g/mol
LogP5.83
Rot. Bonds6

About 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone (PubChem CID 158566802) has the molecular formula C26H19F5N4O2 and a molecular weight of 514.45 g/mol. Its IUPAC name is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone
PubChem CID158566802
Molecular FormulaC26H19F5N4O2
Molecular Weight514.45 g/mol
Exact Mass514.14
IUPAC Name1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1nn(C)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C26H19F5N4O2/c1-14-24(22(36)12-20-16-11-15(26(29,30)31)8-9-21(16)34(2)33-20)35-10-4-7-23(25(35)32-14)37-13-17-18(27)5-3-6-19(17)28/h3-11H,12-13H2,1-2H3
InChIKeyHROUIKLIWVUPHM-UHFFFAOYSA-N
XLogP5.83
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.45
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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{5-Amino-1-[6-(2,5-difluoro-phenoxy)-pyridin-3-yl]-1h-pyrazol-4-yl}-[5-(morpholine-4-carbonyl)-1h-indol-2-yl]-methanone
CID 118138334

Frequently Asked Questions

What is the IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone?
The IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone (CID 158566802) is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone.
What is the SMILES notation for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone?
The canonical SMILES for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Cc1nn(C)c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone?
The InChIKey is HROUIKLIWVUPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F5N4O2/c1-14-24(22(36)12-20-16-11-15(26(29,30)31)8-9-21(16)34(2)33-20)35-10-4-7-23(25(35)32-14)37-13-17-18(27)5-3-6-19(17)28/h3-11H,12-13H2,1-2H3.
What are the key properties of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone?
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone has a molecular weight of 514.45 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone is sourced from PubChem (CID 158566802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).