7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane

C15H23N7 — CID 131907638

IUPAC7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane
SMILESCN1CCCN(c2ncnc3[nH]ncc23)CC12CCNCC2
InChIInChI=1S/C15H23N7/c1-21-7-2-8-22(10-15(21)3-5-16-6-4-15)14-12-9-19-20-13(12)17-11-18-14/h9,11,16H,2-8,10H2,1H3,(H,17,18,19,20)
InChIKeyNXVFYYRDTHTKSP-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.62
Rot. Bonds1

About 7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane

7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane (PubChem CID 131907638) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane.

Molecular Properties

Compound Name7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane
PubChem CID131907638
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane
SMILESCN1CCCN(c2ncnc3[nH]ncc23)CC12CCNCC2
InChIInChI=1S/C15H23N7/c1-21-7-2-8-22(10-15(21)3-5-16-6-4-15)14-12-9-19-20-13(12)17-11-18-14/h9,11,16H,2-8,10H2,1H3,(H,17,18,19,20)
InChIKeyNXVFYYRDTHTKSP-UHFFFAOYSA-N
XLogP0.62
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane?
The IUPAC name of 7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane (CID 131907638) is 7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane.
What is the SMILES notation for 7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane?
The canonical SMILES for 7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane is CN1CCCN(c2ncnc3[nH]ncc23)CC12CCNCC2.
What is the InChIKey of 7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane?
The InChIKey is NXVFYYRDTHTKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-21-7-2-8-22(10-15(21)3-5-16-6-4-15)14-12-9-19-20-13(12)17-11-18-14/h9,11,16H,2-8,10H2,1H3,(H,17,18,19,20).
What are the key properties of 7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane?
7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane has a molecular weight of 301.40 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane is sourced from PubChem (CID 131907638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).