7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C16H19N5O3 — CID 56890822

IUPAC7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCc1cc(C)n2nc(C(=O)N3CCC4(CN(C)C(=O)O4)C3)cc2n1
InChIInChI=1S/C16H19N5O3/c1-10-6-11(2)21-13(17-10)7-12(18-21)14(22)20-5-4-16(9-20)8-19(3)15(23)24-16/h6-7H,4-5,8-9H2,1-3H3
InChIKeyWHJGQKINGDQYIL-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.01
Rot. Bonds1

About 7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56890822) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID56890822
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCc1cc(C)n2nc(C(=O)N3CCC4(CN(C)C(=O)O4)C3)cc2n1
InChIInChI=1S/C16H19N5O3/c1-10-6-11(2)21-13(17-10)7-12(18-21)14(22)20-5-4-16(9-20)8-19(3)15(23)24-16/h6-7H,4-5,8-9H2,1-3H3
InChIKeyWHJGQKINGDQYIL-UHFFFAOYSA-N
XLogP1.01
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56890822) is 7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is Cc1cc(C)n2nc(C(=O)N3CCC4(CN(C)C(=O)O4)C3)cc2n1.
What is the InChIKey of 7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is WHJGQKINGDQYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-6-11(2)21-13(17-10)7-12(18-21)14(22)20-5-4-16(9-20)8-19(3)15(23)24-16/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of 7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 329.36 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56890822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).