3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

C22H18N4O2S2 — CID 164626691

IUPAC3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCn1cc(-c2ccc(-c3cnc4ccc(-c5ccc(S(C)(=O)=O)cc5)cn34)s2)cn1
InChIInChI=1S/C22H18N4O2S2/c1-25-13-17(11-24-25)20-8-9-21(29-20)19-12-23-22-10-5-16(14-26(19)22)15-3-6-18(7-4-15)30(2,27)28/h3-14H,1-2H3
InChIKeyVZBFKQDEKONIOW-UHFFFAOYSA-N
MW434.55 g/mol
LogP4.53
Rot. Bonds4

About 3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (PubChem CID 164626691) has the molecular formula C22H18N4O2S2 and a molecular weight of 434.55 g/mol. Its IUPAC name is 3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
PubChem CID164626691
Molecular FormulaC22H18N4O2S2
Molecular Weight434.55 g/mol
Exact Mass434.09
IUPAC Name3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCn1cc(-c2ccc(-c3cnc4ccc(-c5ccc(S(C)(=O)=O)cc5)cn34)s2)cn1
InChIInChI=1S/C22H18N4O2S2/c1-25-13-17(11-24-25)20-8-9-21(29-20)19-12-23-22-10-5-16(14-26(19)22)15-3-6-18(7-4-15)30(2,27)28/h3-14H,1-2H3
InChIKeyVZBFKQDEKONIOW-UHFFFAOYSA-N
XLogP4.53
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (CID 164626691) is 3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is Cn1cc(-c2ccc(-c3cnc4ccc(-c5ccc(S(C)(=O)=O)cc5)cn34)s2)cn1.
What is the InChIKey of 3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is VZBFKQDEKONIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S2/c1-25-13-17(11-24-25)20-8-9-21(29-20)19-12-23-22-10-5-16(14-26(19)22)15-3-6-18(7-4-15)30(2,27)28/h3-14H,1-2H3.
What are the key properties of 3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 434.55 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-6-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 164626691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).