2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole

C20H15N5O3S — CID 162760817

IUPAC2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole
SMILESCn1cc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)c(-c2ncco2)n1
InChIInChI=1S/C20H15N5O3S/c1-24-13-17(18(23-24)20-22-10-12-28-20)15-7-9-21-19-16(15)8-11-25(19)29(26,27)14-5-3-2-4-6-14/h2-13H,1H3
InChIKeyWJJMYSGJGYBEEF-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.33
Rot. Bonds4

About 2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole

2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole (PubChem CID 162760817) has the molecular formula C20H15N5O3S and a molecular weight of 405.44 g/mol. Its IUPAC name is 2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole
PubChem CID162760817
Molecular FormulaC20H15N5O3S
Molecular Weight405.44 g/mol
Exact Mass405.09
IUPAC Name2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole
SMILESCn1cc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)c(-c2ncco2)n1
InChIInChI=1S/C20H15N5O3S/c1-24-13-17(18(23-24)20-22-10-12-28-20)15-7-9-21-19-16(15)8-11-25(19)29(26,27)14-5-3-2-4-6-14/h2-13H,1H3
InChIKeyWJJMYSGJGYBEEF-UHFFFAOYSA-N
XLogP3.33
TPSA95.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole?
The IUPAC name of 2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole (CID 162760817) is 2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole is Cn1cc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)c(-c2ncco2)n1.
What is the InChIKey of 2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole?
The InChIKey is WJJMYSGJGYBEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3S/c1-24-13-17(18(23-24)20-22-10-12-28-20)15-7-9-21-19-16(15)8-11-25(19)29(26,27)14-5-3-2-4-6-14/h2-13H,1H3.
What are the key properties of 2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole?
2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole has a molecular weight of 405.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 162760817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).