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

C17H21ClN4O — CID 50976072

IUPAC8-[(4-chloro-1-methylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCn1nc(CN2CCC3(CC2)CNC(=O)C3)c2c(Cl)cccc21
InChIInChI=1S/C17H21ClN4O/c1-21-14-4-2-3-12(18)16(14)13(20-21)10-22-7-5-17(6-8-22)9-15(23)19-11-17/h2-4H,5-11H2,1H3,(H,19,23)
InChIKeyUMCOZRKMYZICAX-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.33
Rot. Bonds2

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

8-[(4-chloro-1-methylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50976072) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 8-[(4-chloro-1-methylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(4-chloro-1-methylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50976072
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name8-[(4-chloro-1-methylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCn1nc(CN2CCC3(CC2)CNC(=O)C3)c2c(Cl)cccc21
InChIInChI=1S/C17H21ClN4O/c1-21-14-4-2-3-12(18)16(14)13(20-21)10-22-7-5-17(6-8-22)9-15(23)19-11-17/h2-4H,5-11H2,1H3,(H,19,23)
InChIKeyUMCOZRKMYZICAX-UHFFFAOYSA-N
XLogP2.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-chloro-1-methylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(4-chloro-1-methylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 50976072) is 8-[(4-chloro-1-methylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(4-chloro-1-methylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(4-chloro-1-methylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is Cn1nc(CN2CCC3(CC2)CNC(=O)C3)c2c(Cl)cccc21.
What is the InChIKey of 8-[(4-chloro-1-methylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is UMCOZRKMYZICAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-21-14-4-2-3-12(18)16(14)13(20-21)10-22-7-5-17(6-8-22)9-15(23)19-11-17/h2-4H,5-11H2,1H3,(H,19,23).
What are the key properties of 8-[(4-chloro-1-methylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[(4-chloro-1-methylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 332.83 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chloro-1-methylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50976072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).