(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone

C16H20BrN5O2 — CID 166294299

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone
SMILESCN1CC2(CCN(C(=O)c3cnn4cc(Br)cnc34)CC2CO)C1
InChIInChI=1S/C16H20BrN5O2/c1-20-9-16(10-20)2-3-21(6-11(16)8-23)15(24)13-5-19-22-7-12(17)4-18-14(13)22/h4-5,7,11,23H,2-3,6,8-10H2,1H3
InChIKeyLZAMOTOLINQPLP-UHFFFAOYSA-N
MW394.27 g/mol
LogP0.88
Rot. Bonds2

About (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone

(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone (PubChem CID 166294299) has the molecular formula C16H20BrN5O2 and a molecular weight of 394.27 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone
PubChem CID166294299
Molecular FormulaC16H20BrN5O2
Molecular Weight394.27 g/mol
Exact Mass393.08
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone
SMILESCN1CC2(CCN(C(=O)c3cnn4cc(Br)cnc34)CC2CO)C1
InChIInChI=1S/C16H20BrN5O2/c1-20-9-16(10-20)2-3-21(6-11(16)8-23)15(24)13-5-19-22-7-12(17)4-18-14(13)22/h4-5,7,11,23H,2-3,6,8-10H2,1H3
InChIKeyLZAMOTOLINQPLP-UHFFFAOYSA-N
XLogP0.88
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone (CID 166294299) is (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone is CN1CC2(CCN(C(=O)c3cnn4cc(Br)cnc34)CC2CO)C1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is LZAMOTOLINQPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O2/c1-20-9-16(10-20)2-3-21(6-11(16)8-23)15(24)13-5-19-22-7-12(17)4-18-14(13)22/h4-5,7,11,23H,2-3,6,8-10H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 394.27 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[5-(hydroxymethyl)-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 166294299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).