2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

C16H18ClN3O3 — CID 22510033

IUPAC2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(Cn1ncc2ccc(Cl)cc21)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H18ClN3O3/c17-13-2-1-12-10-18-20(14(12)9-13)11-15(21)19-5-3-16(4-6-19)22-7-8-23-16/h1-2,9-10H,3-8,11H2
InChIKeyXFPCZYOMNMDMMG-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.06
Rot. Bonds2

About 2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 22510033) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID22510033
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(Cn1ncc2ccc(Cl)cc21)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H18ClN3O3/c17-13-2-1-12-10-18-20(14(12)9-13)11-15(21)19-5-3-16(4-6-19)22-7-8-23-16/h1-2,9-10H,3-8,11H2
InChIKeyXFPCZYOMNMDMMG-UHFFFAOYSA-N
XLogP2.06
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (CID 22510033) is 2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is O=C(Cn1ncc2ccc(Cl)cc21)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is XFPCZYOMNMDMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c17-13-2-1-12-10-18-20(14(12)9-13)11-15(21)19-5-3-16(4-6-19)22-7-8-23-16/h1-2,9-10H,3-8,11H2.
What are the key properties of 2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 335.79 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 22510033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).