6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile

C21H19N7O3 — CID 155884168

About 6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile

6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile (PubChem CID 155884168) has the molecular formula C21H19N7O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is 6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile
• PubChem CID: 155884168
• Molecular Formula: C21H19N7O3
• Molecular Weight: 417.43 g/mol
• Exact Mass: 417.15
• IUPAC Name: 6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile
• SMILES: COc1nc(N)cc2oc(C3=C(C)NC4C(c5ccccc5)C(C#N)NN4C3=O)nc12
• InChI: InChI=1S/C21H19N7O3/c1-10-15(19-26-17-13(31-19)8-14(23)25-20(17)30-2)21(29)28-18(24-10)16(12(9-22)27-28)11-6-4-3-5-7-11/h3-8,12,16,18,24,27H,1-2H3,(H2,23,25)
• InChIKey: LMALSDSTVFRIOQ-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 142.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.43
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile?

The IUPAC name of 6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile (CID 155884168) is 6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile.

What is the SMILES notation for 6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile?

The canonical SMILES for 6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile is COc1nc(N)cc2oc(C3=C(C)NC4C(c5ccccc5)C(C#N)NN4C3=O)nc12.

What is the InChIKey of 6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile?

The InChIKey is LMALSDSTVFRIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3/c1-10-15(19-26-17-13(31-19)8-14(23)25-20(17)30-2)21(29)28-18(24-10)16(12(9-22)27-28)11-6-4-3-5-7-11/h3-8,12,16,18,24,27H,1-2H3,(H2,23,25).

What are the key properties of 6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile?

6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile has a molecular weight of 417.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155884168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).