(5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C16H19N5O3 — CID 95716220

IUPAC(5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C)n2nc(C(=O)N3CCC[C@@]4(CNC(=O)O4)C3)cc2n1
InChIInChI=1S/C16H19N5O3/c1-10-6-11(2)21-13(18-10)7-12(19-21)14(22)20-5-3-4-16(9-20)8-17-15(23)24-16/h6-7H,3-5,8-9H2,1-2H3,(H,17,23)/t16-/m1/s1
InChIKeyJSTDHEQTUCZSBL-MRXNPFEDSA-N
MW329.36 g/mol
LogP1.06
Rot. Bonds1

About (5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95716220) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95716220
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C)n2nc(C(=O)N3CCC[C@@]4(CNC(=O)O4)C3)cc2n1
InChIInChI=1S/C16H19N5O3/c1-10-6-11(2)21-13(18-10)7-12(19-21)14(22)20-5-3-4-16(9-20)8-17-15(23)24-16/h6-7H,3-5,8-9H2,1-2H3,(H,17,23)/t16-/m1/s1
InChIKeyJSTDHEQTUCZSBL-MRXNPFEDSA-N
XLogP1.06
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95716220) is (5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1cc(C)n2nc(C(=O)N3CCC[C@@]4(CNC(=O)O4)C3)cc2n1.
What is the InChIKey of (5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is JSTDHEQTUCZSBL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-6-11(2)21-13(18-10)7-12(19-21)14(22)20-5-3-4-16(9-20)8-17-15(23)24-16/h6-7H,3-5,8-9H2,1-2H3,(H,17,23)/t16-/m1/s1.
What are the key properties of (5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 329.36 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95716220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).