1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

C38H34F6N4O2 — CID 159293309

IUPAC1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCc1ccc2nc(C)c(C(=O)CCc3ccc(C(F)(F)F)cc3)n2c1.[2H]c1c(C)c([2H])n2c(C(=O)CCc3ccc(C(F)(F)F)cc3)c(C)nc2c1[2H]
InChIInChI=1S/2C19H17F3N2O/c2*1-12-3-10-17-23-13(2)18(24(17)11-12)16(25)9-6-14-4-7-15(8-5-14)19(20,21)22/h2*3-5,7-8,10-11H,6,9H2,1-2H3/i3D,10D,11D;
InChIKeyLAKAXZNSGJMBQR-UXHGMCORSA-N
MW695.72 g/mol
LogP9.57
Rot. Bonds8

About 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 159293309) has the molecular formula C38H34F6N4O2 and a molecular weight of 695.72 g/mol. Its IUPAC name is 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID159293309
Molecular FormulaC38H34F6N4O2
Molecular Weight695.72 g/mol
Exact Mass695.28
IUPAC Name1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCc1ccc2nc(C)c(C(=O)CCc3ccc(C(F)(F)F)cc3)n2c1.[2H]c1c(C)c([2H])n2c(C(=O)CCc3ccc(C(F)(F)F)cc3)c(C)nc2c1[2H]
InChIInChI=1S/2C19H17F3N2O/c2*1-12-3-10-17-23-13(2)18(24(17)11-12)16(25)9-6-14-4-7-15(8-5-14)19(20,21)22/h2*3-5,7-8,10-11H,6,9H2,1-2H3/i3D,10D,11D;
InChIKeyLAKAXZNSGJMBQR-UXHGMCORSA-N
XLogP9.57
TPSA68.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.72
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 159293309) is 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is Cc1ccc2nc(C)c(C(=O)CCc3ccc(C(F)(F)F)cc3)n2c1.[2H]c1c(C)c([2H])n2c(C(=O)CCc3ccc(C(F)(F)F)cc3)c(C)nc2c1[2H].
What is the InChIKey of 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is LAKAXZNSGJMBQR-UXHGMCORSA-N. The full InChI is InChI=1S/2C19H17F3N2O/c2*1-12-3-10-17-23-13(2)18(24(17)11-12)16(25)9-6-14-4-7-15(8-5-14)19(20,21)22/h2*3-5,7-8,10-11H,6,9H2,1-2H3/i3D,10D,11D;.
What are the key properties of 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 695.72 g/mol, XLogP of 9.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;1-(5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 159293309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).