6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H18FN5O4S — CID 99507210

IUPAC6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc4c(c3)N(S(N)(=O)=O)CC4)c12
InChIInChI=1S/C22H18FN5O4S/c1-12-20-17(11-18(26-22(20)32-27-12)13-2-5-15(23)6-3-13)21(29)25-16-7-4-14-8-9-28(19(14)10-16)33(24,30)31/h2-7,10-11H,8-9H2,1H3,(H,25,29)(H2,24,30,31)
InChIKeyPZXOGSCDVDIATF-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.16
Rot. Bonds4

About 6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 99507210) has the molecular formula C22H18FN5O4S and a molecular weight of 467.48 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID99507210
Molecular FormulaC22H18FN5O4S
Molecular Weight467.48 g/mol
Exact Mass467.11
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc4c(c3)N(S(N)(=O)=O)CC4)c12
InChIInChI=1S/C22H18FN5O4S/c1-12-20-17(11-18(26-22(20)32-27-12)13-2-5-15(23)6-3-13)21(29)25-16-7-4-14-8-9-28(19(14)10-16)33(24,30)31/h2-7,10-11H,8-9H2,1H3,(H,25,29)(H2,24,30,31)
InChIKeyPZXOGSCDVDIATF-UHFFFAOYSA-N
XLogP3.16
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 99507210) is 6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc4c(c3)N(S(N)(=O)=O)CC4)c12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PZXOGSCDVDIATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O4S/c1-12-20-17(11-18(26-22(20)32-27-12)13-2-5-15(23)6-3-13)21(29)25-16-7-4-14-8-9-28(19(14)10-16)33(24,30)31/h2-7,10-11H,8-9H2,1H3,(H,25,29)(H2,24,30,31).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 99507210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).