2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine

C27H24F3N3O4S — CID 155513895

IUPAC2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccc(C(F)(F)F)cc5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C27H24F3N3O4S/c1-36-24-9-3-19(15-25(24)37-2)23-17-32-16-20(4-10-26(32)31-23)18-11-13-33(14-12-18)38(34,35)22-7-5-21(6-8-22)27(28,29)30/h3-11,15-17H,12-14H2,1-2H3
InChIKeyJPWREKYXARESBW-UHFFFAOYSA-N
MW543.57 g/mol
LogP5.52
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine

2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine (PubChem CID 155513895) has the molecular formula C27H24F3N3O4S and a molecular weight of 543.57 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine
PubChem CID155513895
Molecular FormulaC27H24F3N3O4S
Molecular Weight543.57 g/mol
Exact Mass543.14
IUPAC Name2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccc(C(F)(F)F)cc5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C27H24F3N3O4S/c1-36-24-9-3-19(15-25(24)37-2)23-17-32-16-20(4-10-26(32)31-23)18-11-13-33(14-12-18)38(34,35)22-7-5-21(6-8-22)27(28,29)30/h3-11,15-17H,12-14H2,1-2H3
InChIKeyJPWREKYXARESBW-UHFFFAOYSA-N
XLogP5.52
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.57
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine (CID 155513895) is 2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine is COc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccc(C(F)(F)F)cc5)CC4)ccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is JPWREKYXARESBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O4S/c1-36-24-9-3-19(15-25(24)37-2)23-17-32-16-20(4-10-26(32)31-23)18-11-13-33(14-12-18)38(34,35)22-7-5-21(6-8-22)27(28,29)30/h3-11,15-17H,12-14H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine?
2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 543.57 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155513895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).