1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C17H21ClN4O — CID 121326310

IUPAC1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1
InChIInChI=1S/C17H21ClN4O/c1-12(23)22-7-4-17(11-22)2-5-21(6-3-17)16-9-13(18)8-15-14(16)10-19-20-15/h8-10H,2-7,11H2,1H3,(H,19,20)
InChIKeyKDYVHRHESFLOFN-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.06
Rot. Bonds1

About 1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 121326310) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID121326310
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1
InChIInChI=1S/C17H21ClN4O/c1-12(23)22-7-4-17(11-22)2-5-21(6-3-17)16-9-13(18)8-15-14(16)10-19-20-15/h8-10H,2-7,11H2,1H3,(H,19,20)
InChIKeyKDYVHRHESFLOFN-UHFFFAOYSA-N
XLogP3.06
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 121326310) is 1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CC(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.
What is the InChIKey of 1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is KDYVHRHESFLOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12(23)22-7-4-17(11-22)2-5-21(6-3-17)16-9-13(18)8-15-14(16)10-19-20-15/h8-10H,2-7,11H2,1H3,(H,19,20).
What are the key properties of 1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 332.83 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 121326310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).