[(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C26H23F7N4O — CID 98408994

IUPAC[(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C26H23F7N4O/c27-20-3-1-2-4-22(20)35-7-9-36(10-8-35)24(38)21-15-37-14-16(5-6-23(37)34-21)17-11-18(25(28,29)30)13-19(12-17)26(31,32)33/h1-4,11-13,15-16H,5-10,14H2/t16-/m0/s1
InChIKeyFKFSGNFLPPSIEN-INIZCTEOSA-N
MW540.48 g/mol
LogP5.75
Rot. Bonds3

About [(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 98408994) has the molecular formula C26H23F7N4O and a molecular weight of 540.48 g/mol. Its IUPAC name is [(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID98408994
Molecular FormulaC26H23F7N4O
Molecular Weight540.48 g/mol
Exact Mass540.18
IUPAC Name[(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C26H23F7N4O/c27-20-3-1-2-4-22(20)35-7-9-36(10-8-35)24(38)21-15-37-14-16(5-6-23(37)34-21)17-11-18(25(28,29)30)13-19(12-17)26(31,32)33/h1-4,11-13,15-16H,5-10,14H2/t16-/m0/s1
InChIKeyFKFSGNFLPPSIEN-INIZCTEOSA-N
XLogP5.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.48
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42878709
ethyl 4-[(6R)-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 93013112
[(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 93013303
(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-butan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013332
[(6R)-6-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 93013400
[6-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46081107
[(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 93013241
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 146080413
(6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013088
(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 154854125
[6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 42878718
2-[3,5-bis(trifluoromethyl)phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 55401372

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 98408994) is [(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is FKFSGNFLPPSIEN-INIZCTEOSA-N. The full InChI is InChI=1S/C26H23F7N4O/c27-20-3-1-2-4-22(20)35-7-9-36(10-8-35)24(38)21-15-37-14-16(5-6-23(37)34-21)17-11-18(25(28,29)30)13-19(12-17)26(31,32)33/h1-4,11-13,15-16H,5-10,14H2/t16-/m0/s1.
What are the key properties of [(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 540.48 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 98408994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).