3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine

C23H17F3N4OS — CID 164613273

IUPAC3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc3cc(-c4cnn(C)c4)ccn23)s1
InChIInChI=1S/C23H17F3N4OS/c1-29-13-15(11-28-29)14-7-8-30-18(12-27-22(30)9-14)21-6-5-20(32-21)17-4-3-16(23(24,25)26)10-19(17)31-2/h3-13H,1-2H3
InChIKeyCCFNUKCOSGQRIG-UHFFFAOYSA-N
MW454.48 g/mol
LogP6.16
Rot. Bonds4

About 3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine

3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine (PubChem CID 164613273) has the molecular formula C23H17F3N4OS and a molecular weight of 454.48 g/mol. Its IUPAC name is 3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
PubChem CID164613273
Molecular FormulaC23H17F3N4OS
Molecular Weight454.48 g/mol
Exact Mass454.11
IUPAC Name3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc3cc(-c4cnn(C)c4)ccn23)s1
InChIInChI=1S/C23H17F3N4OS/c1-29-13-15(11-28-29)14-7-8-30-18(12-27-22(30)9-14)21-6-5-20(32-21)17-4-3-16(23(24,25)26)10-19(17)31-2/h3-13H,1-2H3
InChIKeyCCFNUKCOSGQRIG-UHFFFAOYSA-N
XLogP6.16
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.48
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine (CID 164613273) is 3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine is COc1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc3cc(-c4cnn(C)c4)ccn23)s1.
What is the InChIKey of 3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is CCFNUKCOSGQRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4OS/c1-29-13-15(11-28-29)14-7-8-30-18(12-27-22(30)9-14)21-6-5-20(32-21)17-4-3-16(23(24,25)26)10-19(17)31-2/h3-13H,1-2H3.
What are the key properties of 3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine?
3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 454.48 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 164613273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).