6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine

C23H20N6O2S — CID 169494215

IUPAC6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCn1cc(-c2ccn3c(-c4cccc(Nc5ccc(S(C)(=O)=O)cc5)n4)cnc3c2)cn1
InChIInChI=1S/C23H20N6O2S/c1-28-15-17(13-25-28)16-10-11-29-21(14-24-23(29)12-16)20-4-3-5-22(27-20)26-18-6-8-19(9-7-18)32(2,30)31/h3-15H,1-2H3,(H,26,27)
InChIKeyQIKIFQZHDRYLOR-UHFFFAOYSA-N
MW444.52 g/mol
LogP3.94
Rot. Bonds5

About 6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine

6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine (PubChem CID 169494215) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is 6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine
PubChem CID169494215
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC Name6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCn1cc(-c2ccn3c(-c4cccc(Nc5ccc(S(C)(=O)=O)cc5)n4)cnc3c2)cn1
InChIInChI=1S/C23H20N6O2S/c1-28-15-17(13-25-28)16-10-11-29-21(14-24-23(29)12-16)20-4-3-5-22(27-20)26-18-6-8-19(9-7-18)32(2,30)31/h3-15H,1-2H3,(H,26,27)
InChIKeyQIKIFQZHDRYLOR-UHFFFAOYSA-N
XLogP3.94
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine (CID 169494215) is 6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine is Cn1cc(-c2ccn3c(-c4cccc(Nc5ccc(S(C)(=O)=O)cc5)n4)cnc3c2)cn1.
What is the InChIKey of 6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine?
The InChIKey is QIKIFQZHDRYLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S/c1-28-15-17(13-25-28)16-10-11-29-21(14-24-23(29)12-16)20-4-3-5-22(27-20)26-18-6-8-19(9-7-18)32(2,30)31/h3-15H,1-2H3,(H,26,27).
What are the key properties of 6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine?
6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine has a molecular weight of 444.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 169494215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).