N-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C19H24N8O4S — CID 164739896

IUPACN-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)NN1CCCC1)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C19H24N8O4S/c28-19(21-6-10-32(29,30)25-27-7-1-2-8-27)16-14-11-26(9-4-15(14)31-24-16)18-13-3-5-20-17(13)22-12-23-18/h3,5,12,25H,1-2,4,6-11H2,(H,21,28)(H,20,22,23)
InChIKeyQGCOQZPDUHFOSB-UHFFFAOYSA-N
MW460.52 g/mol
LogP0.17
Rot. Bonds7

About N-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

N-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 164739896) has the molecular formula C19H24N8O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is N-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID164739896
Molecular FormulaC19H24N8O4S
Molecular Weight460.52 g/mol
Exact Mass460.16
IUPAC NameN-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)NN1CCCC1)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C19H24N8O4S/c28-19(21-6-10-32(29,30)25-27-7-1-2-8-27)16-14-11-26(9-4-15(14)31-24-16)18-13-3-5-20-17(13)22-12-23-18/h3,5,12,25H,1-2,4,6-11H2,(H,21,28)(H,20,22,23)
InChIKeyQGCOQZPDUHFOSB-UHFFFAOYSA-N
XLogP0.17
TPSA149.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of N-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 164739896) is N-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is O=C(NCCS(=O)(=O)NN1CCCC1)c1noc2c1CN(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of N-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is QGCOQZPDUHFOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O4S/c28-19(21-6-10-32(29,30)25-27-7-1-2-8-27)16-14-11-26(9-4-15(14)31-24-16)18-13-3-5-20-17(13)22-12-23-18/h3,5,12,25H,1-2,4,6-11H2,(H,21,28)(H,20,22,23).
What are the key properties of N-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
N-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 460.52 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrrolidin-1-ylsulfamoyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 164739896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).