8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one

C16H19ClN4O — CID 121326022

IUPAC8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1=O
InChIInChI=1S/C16H19ClN4O/c1-20-10-16(8-15(20)22)2-4-21(5-3-16)14-7-11(17)6-13-12(14)9-18-19-13/h6-7,9H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyPZGGTEQVJAUBJE-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.66
Rot. Bonds1

About 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one

8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 121326022) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID121326022
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1=O
InChIInChI=1S/C16H19ClN4O/c1-20-10-16(8-15(20)22)2-4-21(5-3-16)14-7-11(17)6-13-12(14)9-18-19-13/h6-7,9H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyPZGGTEQVJAUBJE-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 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one (CID 121326022) is 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1=O.
What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is PZGGTEQVJAUBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-20-10-16(8-15(20)22)2-4-21(5-3-16)14-7-11(17)6-13-12(14)9-18-19-13/h6-7,9H,2-5,8,10H2,1H3,(H,18,19).
What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one 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 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 121326022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).