5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole

C28H36N8 — CID 159027737

IUPAC5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole
SMILESc1cc2[nH]ncc2cc1N1CCNCC12CCC2.c1cc2[nH]ncc2cc1N1CCNCC12CCC2
InChIInChI=1S/2C14H18N4/c2*1-4-14(5-1)10-15-6-7-18(14)12-2-3-13-11(8-12)9-16-17-13/h2*2-3,8-9,15H,1,4-7,10H2,(H,16,17)
InChIKeyJUMHUEUFZCOMIA-UHFFFAOYSA-N
MW484.65 g/mol
LogP3.79
Rot. Bonds2

About 5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole

5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole (PubChem CID 159027737) has the molecular formula C28H36N8 and a molecular weight of 484.65 g/mol. Its IUPAC name is 5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole.

Molecular Properties

Compound Name5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole
PubChem CID159027737
Molecular FormulaC28H36N8
Molecular Weight484.65 g/mol
Exact Mass484.31
IUPAC Name5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole
SMILESc1cc2[nH]ncc2cc1N1CCNCC12CCC2.c1cc2[nH]ncc2cc1N1CCNCC12CCC2
InChIInChI=1S/2C14H18N4/c2*1-4-14(5-1)10-15-6-7-18(14)12-2-3-13-11(8-12)9-16-17-13/h2*2-3,8-9,15H,1,4-7,10H2,(H,16,17)
InChIKeyJUMHUEUFZCOMIA-UHFFFAOYSA-N
XLogP3.79
TPSA87.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole?
The IUPAC name of 5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole (CID 159027737) is 5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole.
What is the SMILES notation for 5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole?
The canonical SMILES for 5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole is c1cc2[nH]ncc2cc1N1CCNCC12CCC2.c1cc2[nH]ncc2cc1N1CCNCC12CCC2.
What is the InChIKey of 5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole?
The InChIKey is JUMHUEUFZCOMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H18N4/c2*1-4-14(5-1)10-15-6-7-18(14)12-2-3-13-11(8-12)9-16-17-13/h2*2-3,8-9,15H,1,4-7,10H2,(H,16,17).
What are the key properties of 5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole?
5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole has a molecular weight of 484.65 g/mol, XLogP of 3.79, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazole is sourced from PubChem (CID 159027737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).