9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C15H19N5O2 — CID 163319605

IUPAC9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1nc2ccnn2c(N2CCCC3(CNC(=O)O3)C2)c1C
InChIInChI=1S/C15H19N5O2/c1-10-11(2)18-12-4-6-17-20(12)13(10)19-7-3-5-15(9-19)8-16-14(21)22-15/h4,6H,3,5,7-9H2,1-2H3,(H,16,21)
InChIKeyYXPQKRAEASWKFQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.42
Rot. Bonds1

About 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 163319605) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID163319605
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1nc2ccnn2c(N2CCCC3(CNC(=O)O3)C2)c1C
InChIInChI=1S/C15H19N5O2/c1-10-11(2)18-12-4-6-17-20(12)13(10)19-7-3-5-15(9-19)8-16-14(21)22-15/h4,6H,3,5,7-9H2,1-2H3,(H,16,21)
InChIKeyYXPQKRAEASWKFQ-UHFFFAOYSA-N
XLogP1.42
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 163310299
1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 163306794
4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
CID 163308783
methyl 1-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-3-phenylpyrrolidine-3-carboxylate
CID 163310725
(5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95716220
(5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95870692
(5R)-9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99928590
9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77080948
4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(4-fluorophenyl)morpholine
CID 163312558
9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 72873248
(5R)-9-(4-methyl-2-piperidin-1-ylpyrimidine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95721539
(5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95716878

Frequently Asked Questions

What is the IUPAC name of 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 163319605) is 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1nc2ccnn2c(N2CCCC3(CNC(=O)O3)C2)c1C.
What is the InChIKey of 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is YXPQKRAEASWKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-11(2)18-12-4-6-17-20(12)13(10)19-7-3-5-15(9-19)8-16-14(21)22-15/h4,6H,3,5,7-9H2,1-2H3,(H,16,21).
What are the key properties of 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 301.35 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 163319605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).