8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

C20H21Cl2N5O — CID 164743853

IUPAC8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESNC1COCC12CCN(c1cnc(-c3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C20H21Cl2N5O/c21-14-3-1-2-13(17(14)22)18-19-24-6-9-27(19)16(10-25-18)26-7-4-20(5-8-26)12-28-11-15(20)23/h1-3,6,9-10,15H,4-5,7-8,11-12,23H2
InChIKeyXYYAPAQSYNTYTP-UHFFFAOYSA-N
MW418.33 g/mol
LogP3.65
Rot. Bonds2

About 8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 164743853) has the molecular formula C20H21Cl2N5O and a molecular weight of 418.33 g/mol. Its IUPAC name is 8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID164743853
Molecular FormulaC20H21Cl2N5O
Molecular Weight418.33 g/mol
Exact Mass417.11
IUPAC Name8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESNC1COCC12CCN(c1cnc(-c3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C20H21Cl2N5O/c21-14-3-1-2-13(17(14)22)18-19-24-6-9-27(19)16(10-25-18)26-7-4-20(5-8-26)12-28-11-15(20)23/h1-3,6,9-10,15H,4-5,7-8,11-12,23H2
InChIKeyXYYAPAQSYNTYTP-UHFFFAOYSA-N
XLogP3.65
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 164743853) is 8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is NC1COCC12CCN(c1cnc(-c3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of 8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is XYYAPAQSYNTYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O/c21-14-3-1-2-13(17(14)22)18-19-24-6-9-27(19)16(10-25-18)26-7-4-20(5-8-26)12-28-11-15(20)23/h1-3,6,9-10,15H,4-5,7-8,11-12,23H2.
What are the key properties of 8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 418.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 164743853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).