8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane

C19H19Cl2F2N3O — CID 138553209

IUPAC8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane
SMILESFC(F)c1nc(-c2cccc(Cl)c2Cl)cnc1N1CCC2(CCOC2)CC1
InChIInChI=1S/C19H19Cl2F2N3O/c20-13-3-1-2-12(15(13)21)14-10-24-18(16(25-14)17(22)23)26-7-4-19(5-8-26)6-9-27-11-19/h1-3,10,17H,4-9,11H2
InChIKeyIBYVCIPAYXZGIU-UHFFFAOYSA-N
MW414.28 g/mol
LogP5.39
Rot. Bonds3

About 8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane

8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane (PubChem CID 138553209) has the molecular formula C19H19Cl2F2N3O and a molecular weight of 414.28 g/mol. Its IUPAC name is 8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane
PubChem CID138553209
Molecular FormulaC19H19Cl2F2N3O
Molecular Weight414.28 g/mol
Exact Mass413.09
IUPAC Name8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane
SMILESFC(F)c1nc(-c2cccc(Cl)c2Cl)cnc1N1CCC2(CCOC2)CC1
InChIInChI=1S/C19H19Cl2F2N3O/c20-13-3-1-2-12(15(13)21)14-10-24-18(16(25-14)17(22)23)26-7-4-19(5-8-26)6-9-27-11-19/h1-3,10,17H,4-9,11H2
InChIKeyIBYVCIPAYXZGIU-UHFFFAOYSA-N
XLogP5.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.28
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane
CID 142403927
6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 155690425
5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 155690377
8-[3-(2-chloro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decane
CID 166992568
8-[7-(2-chloro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-8-azaspiro[4.5]decane;ethane;methanethiol
CID 142403897
5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine
CID 170128235
5-(8-azaspiro[4.5]decan-8-yl)-2-(2,3-dichlorophenyl)pyridin-3-ol
CID 135255029
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202
5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyridin-2-amine
CID 122520394
5-chloro-6-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine
CID 114279161
(3S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
CID 170128548
5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine
CID 170128356

Frequently Asked Questions

What is the IUPAC name of 8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane (CID 138553209) is 8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane is FC(F)c1nc(-c2cccc(Cl)c2Cl)cnc1N1CCC2(CCOC2)CC1.
What is the InChIKey of 8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is IBYVCIPAYXZGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F2N3O/c20-13-3-1-2-12(15(13)21)14-10-24-18(16(25-14)17(22)23)26-7-4-19(5-8-26)6-9-27-11-19/h1-3,10,17H,4-9,11H2.
What are the key properties of 8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane?
8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 414.28 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 138553209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).