5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

C15H14FN7O3S — CID 15239654

IUPAC5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESCCOc1nc(F)cc2nc(S(=O)(=O)Nc3nn(C)c4ccccc34)nn12
InChIInChI=1S/C15H14FN7O3S/c1-3-26-15-17-11(16)8-12-18-14(20-23(12)15)27(24,25)21-13-9-6-4-5-7-10(9)22(2)19-13/h4-8H,3H2,1-2H3,(H,19,21)
InChIKeyQQXUXWOVRHSQHC-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.35
Rot. Bonds5

About 5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (PubChem CID 15239654) has the molecular formula C15H14FN7O3S and a molecular weight of 391.39 g/mol. Its IUPAC name is 5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
PubChem CID15239654
Molecular FormulaC15H14FN7O3S
Molecular Weight391.39 g/mol
Exact Mass391.09
IUPAC Name5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESCCOc1nc(F)cc2nc(S(=O)(=O)Nc3nn(C)c4ccccc34)nn12
InChIInChI=1S/C15H14FN7O3S/c1-3-26-15-17-11(16)8-12-18-14(20-23(12)15)27(24,25)21-13-9-6-4-5-7-10(9)22(2)19-13/h4-8H,3H2,1-2H3,(H,19,21)
InChIKeyQQXUXWOVRHSQHC-UHFFFAOYSA-N
XLogP1.35
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The IUPAC name of 5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CID 15239654) is 5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The canonical SMILES for 5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is CCOc1nc(F)cc2nc(S(=O)(=O)Nc3nn(C)c4ccccc34)nn12.
What is the InChIKey of 5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The InChIKey is QQXUXWOVRHSQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN7O3S/c1-3-26-15-17-11(16)8-12-18-14(20-23(12)15)27(24,25)21-13-9-6-4-5-7-10(9)22(2)19-13/h4-8H,3H2,1-2H3,(H,19,21).
What are the key properties of 5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide has a molecular weight of 391.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is sourced from PubChem (CID 15239654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).