3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide

C20H17N5O3S — CID 67388564

IUPAC3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide
SMILESNc1ncc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1-c1nc2ncccc2o1
InChIInChI=1S/C20H17N5O3S/c21-18-16(20-24-19-17(28-20)5-2-8-22-19)10-13(11-23-18)12-3-1-4-15(9-12)29(26,27)25-14-6-7-14/h1-5,8-11,14,25H,6-7H2,(H2,21,23)
InChIKeyZPQWXKNVKPGRRZ-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.97
Rot. Bonds5

About 3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide

3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide (PubChem CID 67388564) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide
PubChem CID67388564
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide
SMILESNc1ncc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1-c1nc2ncccc2o1
InChIInChI=1S/C20H17N5O3S/c21-18-16(20-24-19-17(28-20)5-2-8-22-19)10-13(11-23-18)12-3-1-4-15(9-12)29(26,27)25-14-6-7-14/h1-5,8-11,14,25H,6-7H2,(H2,21,23)
InChIKeyZPQWXKNVKPGRRZ-UHFFFAOYSA-N
XLogP2.97
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide (CID 67388564) is 3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide is Nc1ncc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1-c1nc2ncccc2o1.
What is the InChIKey of 3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide?
The InChIKey is ZPQWXKNVKPGRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c21-18-16(20-24-19-17(28-20)5-2-8-22-19)10-13(11-23-18)12-3-1-4-15(9-12)29(26,27)25-14-6-7-14/h1-5,8-11,14,25H,6-7H2,(H2,21,23).
What are the key properties of 3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide?
3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide has a molecular weight of 407.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 67388564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).