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

C22H15F3N4S — CID 164616547

IUPAC7-(1-methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine
SMILESCn1cc(-c2ccn3c(-c4ccc(-c5cccc(C(F)(F)F)c5)s4)cnc3c2)cn1
InChIInChI=1S/C22H15F3N4S/c1-28-13-16(11-27-28)14-7-8-29-18(12-26-21(29)10-14)20-6-5-19(30-20)15-3-2-4-17(9-15)22(23,24)25/h2-13H,1H3
InChIKeyPEBCKPZEQJZPFB-UHFFFAOYSA-N
MW424.45 g/mol
LogP6.15
Rot. Bonds3

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

7-(1-methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine (PubChem CID 164616547) has the molecular formula C22H15F3N4S and a molecular weight of 424.45 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine
PubChem CID164616547
Molecular FormulaC22H15F3N4S
Molecular Weight424.45 g/mol
Exact Mass424.10
IUPAC Name7-(1-methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine
SMILESCn1cc(-c2ccn3c(-c4ccc(-c5cccc(C(F)(F)F)c5)s4)cnc3c2)cn1
InChIInChI=1S/C22H15F3N4S/c1-28-13-16(11-27-28)14-7-8-29-18(12-26-21(29)10-14)20-6-5-19(30-20)15-3-2-4-17(9-15)22(23,24)25/h2-13H,1H3
InChIKeyPEBCKPZEQJZPFB-UHFFFAOYSA-N
XLogP6.15
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.45
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine (CID 164616547) is 7-(1-methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine is Cn1cc(-c2ccn3c(-c4ccc(-c5cccc(C(F)(F)F)c5)s4)cnc3c2)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is PEBCKPZEQJZPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4S/c1-28-13-16(11-27-28)14-7-8-29-18(12-26-21(29)10-14)20-6-5-19(30-20)15-3-2-4-17(9-15)22(23,24)25/h2-13H,1H3.
What are the key properties of 7-(1-methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine?
7-(1-methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 424.45 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 164616547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).