4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane

C17H25N5O — CID 163308783

IUPAC4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
SMILESCc1nc2ccnn2c(N2CCN(C)C3(CCOCC3)C2)c1C
InChIInChI=1S/C17H25N5O/c1-13-14(2)19-15-4-7-18-22(15)16(13)21-9-8-20(3)17(12-21)5-10-23-11-6-17/h4,7H,5-6,8-12H2,1-3H3
InChIKeyDNOCOBAWNCMSBS-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.65
Rot. Bonds1

About 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane

4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane (PubChem CID 163308783) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
PubChem CID163308783
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
SMILESCc1nc2ccnn2c(N2CCN(C)C3(CCOCC3)C2)c1C
InChIInChI=1S/C17H25N5O/c1-13-14(2)19-15-4-7-18-22(15)16(13)21-9-8-20(3)17(12-21)5-10-23-11-6-17/h4,7H,5-6,8-12H2,1-3H3
InChIKeyDNOCOBAWNCMSBS-UHFFFAOYSA-N
XLogP1.65
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane (CID 163308783) is 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane is Cc1nc2ccnn2c(N2CCN(C)C3(CCOCC3)C2)c1C.
What is the InChIKey of 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
The InChIKey is DNOCOBAWNCMSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13-14(2)19-15-4-7-18-22(15)16(13)21-9-8-20(3)17(12-21)5-10-23-11-6-17/h4,7H,5-6,8-12H2,1-3H3.
What are the key properties of 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane?
4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane has a molecular weight of 315.42 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 163308783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).