9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride

C17H27Cl2N5 — CID 154906451

IUPAC9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
SMILESCl.Cl.c1cnc2c(CN3CCCC4(CCNCC4)CC3)cnn2c1
InChIInChI=1S/C17H25N5.2ClH/c1-3-17(4-8-18-9-5-17)6-12-21(10-1)14-15-13-20-22-11-2-7-19-16(15)22;;/h2,7,11,13,18H,1,3-6,8-10,12,14H2;2*1H
InChIKeyGIRQIWPHCFFLLP-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.93
Rot. Bonds2

About 9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride

9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride (PubChem CID 154906451) has the molecular formula C17H27Cl2N5 and a molecular weight of 372.34 g/mol. Its IUPAC name is 9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride.

Molecular Properties

Compound Name9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
PubChem CID154906451
Molecular FormulaC17H27Cl2N5
Molecular Weight372.34 g/mol
Exact Mass371.16
IUPAC Name9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
SMILESCl.Cl.c1cnc2c(CN3CCCC4(CCNCC4)CC3)cnn2c1
InChIInChI=1S/C17H25N5.2ClH/c1-3-17(4-8-18-9-5-17)6-12-21(10-1)14-15-13-20-22-11-2-7-19-16(15)22;;/h2,7,11,13,18H,1,3-6,8-10,12,14H2;2*1H
InChIKeyGIRQIWPHCFFLLP-UHFFFAOYSA-N
XLogP2.93
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 77096135
9-[(2-methylpyrazol-3-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 131951949
(3S)-3-phenyl-8-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 126435844
3-[[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 77085611
2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride
CID 154902980
2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 120907566
5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 166623725
9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 74248039
2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907414
N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 83873099
2-chloro-4-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)phenol;dihydrochloride
CID 154885693
2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 3233910

Frequently Asked Questions

What is the IUPAC name of 9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride?
The IUPAC name of 9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride (CID 154906451) is 9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride.
What is the SMILES notation for 9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride?
The canonical SMILES for 9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride is Cl.Cl.c1cnc2c(CN3CCCC4(CCNCC4)CC3)cnn2c1.
What is the InChIKey of 9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride?
The InChIKey is GIRQIWPHCFFLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5.2ClH/c1-3-17(4-8-18-9-5-17)6-12-21(10-1)14-15-13-20-22-11-2-7-19-16(15)22;;/h2,7,11,13,18H,1,3-6,8-10,12,14H2;2*1H.
What are the key properties of 9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride?
9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride has a molecular weight of 372.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride is sourced from PubChem (CID 154906451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).