3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine

C28H22F6N2O — CID 89440971

IUPAC3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1c(COc2ccc3c(c2)CC2C(C)C32)cccc1-c1c(C(F)(F)F)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C28H22F6N2O/c1-14-16(13-37-19-6-7-21-17(10-19)11-22-15(2)24(21)22)4-3-5-20(14)25-26(28(32,33)34)35-23-12-18(27(29,30)31)8-9-36(23)25/h3-10,12,15,22,24H,11,13H2,1-2H3
InChIKeyITNGHYQBHAXTNJ-UHFFFAOYSA-N
MW516.49 g/mol
LogP7.83
Rot. Bonds4

About 3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine

3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 89440971) has the molecular formula C28H22F6N2O and a molecular weight of 516.49 g/mol. Its IUPAC name is 3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID89440971
Molecular FormulaC28H22F6N2O
Molecular Weight516.49 g/mol
Exact Mass516.16
IUPAC Name3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1c(COc2ccc3c(c2)CC2C(C)C32)cccc1-c1c(C(F)(F)F)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C28H22F6N2O/c1-14-16(13-37-19-6-7-21-17(10-19)11-22-15(2)24(21)22)4-3-5-20(14)25-26(28(32,33)34)35-23-12-18(27(29,30)31)8-9-36(23)25/h3-10,12,15,22,24H,11,13H2,1-2H3
InChIKeyITNGHYQBHAXTNJ-UHFFFAOYSA-N
XLogP7.83
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.49
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene
CID 70863349
4-[[3-(2-chloro-4-methoxy-6-methylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 59450530
1'-[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]spiro[indene-1,4'-piperidine]
CID 129222550
5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 129222567
(1S,1aS,6aR)-4-[[2-fluoro-5-[6-(4-hydroxypiperidin-1-yl)-2-methyl-3-pyridinyl]phenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 118182741
5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-(4-isocyano-4-phenylpiperidin-1-yl)-4,6-dimethylpyrimidine
CID 159477432
2-[2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82530159
(1S,1aS,6aR)-4-[[2-fluoro-5-[2-methyl-6-(3-methylsulfonylazetidin-1-yl)-3-pyridinyl]phenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 118182731
[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl methanesulfonate
CID 23247006
2-[[3-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine
CID 117255739
4-[[6-methyl-5-[2-methyl-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-2-pyridinyl]oxy]thiane 1,1-dioxide
CID 144870873
4-[[2-fluoro-5-[6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methyl-3-pyridinyl]phenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 123690730

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine (CID 89440971) is 3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine is Cc1c(COc2ccc3c(c2)CC2C(C)C32)cccc1-c1c(C(F)(F)F)nc2cc(C(F)(F)F)ccn12.
What is the InChIKey of 3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is ITNGHYQBHAXTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F6N2O/c1-14-16(13-37-19-6-7-21-17(10-19)11-22-15(2)24(21)22)4-3-5-20(14)25-26(28(32,33)34)35-23-12-18(27(29,30)31)8-9-36(23)25/h3-10,12,15,22,24H,11,13H2,1-2H3.
What are the key properties of 3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 516.49 g/mol, XLogP of 7.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 89440971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).