1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

C16H19ClN4O — CID 121326145

IUPAC1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1
InChIInChI=1S/C16H19ClN4O/c1-11(22)21-9-16(10-21)2-4-20(5-3-16)15-7-12(17)6-14-13(15)8-18-19-14/h6-8H,2-5,9-10H2,1H3,(H,18,19)
InChIKeyJCJYQGJEZNUKAH-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.66
Rot. Bonds1

About 1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 121326145) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
PubChem CID121326145
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1
InChIInChI=1S/C16H19ClN4O/c1-11(22)21-9-16(10-21)2-4-20(5-3-16)15-7-12(17)6-14-13(15)8-18-19-14/h6-8H,2-5,9-10H2,1H3,(H,18,19)
InChIKeyJCJYQGJEZNUKAH-UHFFFAOYSA-N
XLogP2.66
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The IUPAC name of 1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (CID 121326145) is 1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.
What is the SMILES notation for 1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The canonical SMILES for 1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is CC(=O)N1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.
What is the InChIKey of 1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The InChIKey is JCJYQGJEZNUKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11(22)21-9-16(10-21)2-4-20(5-3-16)15-7-12(17)6-14-13(15)8-18-19-14/h6-8H,2-5,9-10H2,1H3,(H,18,19).
What are the key properties of 1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 318.81 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 121326145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).