9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane

C19H30N6 — CID 56749916

IUPAC9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
SMILESCc1cc(C)n2ncc(CN3CCC4(CC3)CN(C)CCN4C)c2n1
InChIInChI=1S/C19H30N6/c1-15-11-16(2)25-18(21-15)17(12-20-25)13-24-7-5-19(6-8-24)14-22(3)9-10-23(19)4/h11-12H,5-10,13-14H2,1-4H3
InChIKeyVXEQQJIAWHYICW-UHFFFAOYSA-N
MW342.49 g/mol
LogP1.56
Rot. Bonds2

About 9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane

9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane (PubChem CID 56749916) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
PubChem CID56749916
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
SMILESCc1cc(C)n2ncc(CN3CCC4(CC3)CN(C)CCN4C)c2n1
InChIInChI=1S/C19H30N6/c1-15-11-16(2)25-18(21-15)17(12-20-25)13-24-7-5-19(6-8-24)14-22(3)9-10-23(19)4/h11-12H,5-10,13-14H2,1-4H3
InChIKeyVXEQQJIAWHYICW-UHFFFAOYSA-N
XLogP1.56
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane?
The IUPAC name of 9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane (CID 56749916) is 9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane.
What is the SMILES notation for 9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane?
The canonical SMILES for 9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane is Cc1cc(C)n2ncc(CN3CCC4(CC3)CN(C)CCN4C)c2n1.
What is the InChIKey of 9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane?
The InChIKey is VXEQQJIAWHYICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-15-11-16(2)25-18(21-15)17(12-20-25)13-24-7-5-19(6-8-24)14-22(3)9-10-23(19)4/h11-12H,5-10,13-14H2,1-4H3.
What are the key properties of 9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane?
9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane has a molecular weight of 342.49 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane is sourced from PubChem (CID 56749916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).