N-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

C14H15N5O4S — CID 167930716

IUPACN-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)Nc3noc4c3COCC4)cc12
InChIInChI=1S/C14H15N5O4S/c1-8-10-5-9(6-15-14(10)19(2)16-8)24(20,21)18-13-11-7-22-4-3-12(11)23-17-13/h5-6H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyDDJNJMIARAPKQY-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.14
Rot. Bonds3

About N-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

N-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 167930716) has the molecular formula C14H15N5O4S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID167930716
Molecular FormulaC14H15N5O4S
Molecular Weight349.37 g/mol
Exact Mass349.08
IUPAC NameN-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)Nc3noc4c3COCC4)cc12
InChIInChI=1S/C14H15N5O4S/c1-8-10-5-9(6-15-14(10)19(2)16-8)24(20,21)18-13-11-7-22-4-3-12(11)23-17-13/h5-6H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyDDJNJMIARAPKQY-UHFFFAOYSA-N
XLogP1.14
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (CID 167930716) is N-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is Cc1nn(C)c2ncc(S(=O)(=O)Nc3noc4c3COCC4)cc12.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is DDJNJMIARAPKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4S/c1-8-10-5-9(6-15-14(10)19(2)16-8)24(20,21)18-13-11-7-22-4-3-12(11)23-17-13/h5-6H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of N-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
N-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 349.37 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 167930716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).