9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C16H21N5O2 — CID 163310299

IUPAC9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1nc2ccnn2c(N2CCCC3(CC2)CNC(=O)O3)c1C
InChIInChI=1S/C16H21N5O2/c1-11-12(2)19-13-4-7-18-21(13)14(11)20-8-3-5-16(6-9-20)10-17-15(22)23-16/h4,7H,3,5-6,8-10H2,1-2H3,(H,17,22)
InChIKeyCCAYCTGUFAWNAL-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.82
Rot. Bonds1

About 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 163310299) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID163310299
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1nc2ccnn2c(N2CCCC3(CC2)CNC(=O)O3)c1C
InChIInChI=1S/C16H21N5O2/c1-11-12(2)19-13-4-7-18-21(13)14(11)20-8-3-5-16(6-9-20)10-17-15(22)23-16/h4,7H,3,5-6,8-10H2,1-2H3,(H,17,22)
InChIKeyCCAYCTGUFAWNAL-UHFFFAOYSA-N
XLogP1.82
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 163310299) is 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is Cc1nc2ccnn2c(N2CCCC3(CC2)CNC(=O)O3)c1C.
What is the InChIKey of 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is CCAYCTGUFAWNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-12(2)19-13-4-7-18-21(13)14(11)20-8-3-5-16(6-9-20)10-17-15(22)23-16/h4,7H,3,5-6,8-10H2,1-2H3,(H,17,22).
What are the key properties of 9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 315.38 g/mol, XLogP of 1.82, 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[4.6]undecan-2-one is sourced from PubChem (CID 163310299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).