5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C19H16N6O2 — CID 56913940

IUPAC5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESNC(=O)c1noc2c1CN(c1cc(-c3ccccc3)nc3ccnn13)CC2
InChIInChI=1S/C19H16N6O2/c20-19(26)18-13-11-24(9-7-15(13)27-23-18)17-10-14(12-4-2-1-3-5-12)22-16-6-8-21-25(16)17/h1-6,8,10H,7,9,11H2,(H2,20,26)
InChIKeyZWDHHTJAQVQGLW-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.05
Rot. Bonds3

About 5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 56913940) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID56913940
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESNC(=O)c1noc2c1CN(c1cc(-c3ccccc3)nc3ccnn13)CC2
InChIInChI=1S/C19H16N6O2/c20-19(26)18-13-11-24(9-7-15(13)27-23-18)17-10-14(12-4-2-1-3-5-12)22-16-6-8-21-25(16)17/h1-6,8,10H,7,9,11H2,(H2,20,26)
InChIKeyZWDHHTJAQVQGLW-UHFFFAOYSA-N
XLogP2.05
TPSA102.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 56913940) is 5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is NC(=O)c1noc2c1CN(c1cc(-c3ccccc3)nc3ccnn13)CC2.
What is the InChIKey of 5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is ZWDHHTJAQVQGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c20-19(26)18-13-11-24(9-7-15(13)27-23-18)17-10-14(12-4-2-1-3-5-12)22-16-6-8-21-25(16)17/h1-6,8,10H,7,9,11H2,(H2,20,26).
What are the key properties of 5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 56913940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).