8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane

C22H33F3N6OS — CID 144887460

IUPAC8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane
SMILESCC.CC.Nc1nc(N2CCC3(CC2)OCCC3N)cnc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C18H21F3N6OS.2C2H6/c19-18(20,21)14-11(2-1-6-24-14)29-16-15(23)26-13(10-25-16)27-7-4-17(5-8-27)12(22)3-9-28-17;2*1-2/h1-2,6,10,12H,3-5,7-9,22H2,(H2,23,26);2*1-2H3
InChIKeyPWTOGVYMOHPQIG-UHFFFAOYSA-N
MW486.61 g/mol
LogP4.76
Rot. Bonds3

About 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane

8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane (PubChem CID 144887460) has the molecular formula C22H33F3N6OS and a molecular weight of 486.61 g/mol. Its IUPAC name is 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane.

Molecular Properties

Compound Name8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane
PubChem CID144887460
Molecular FormulaC22H33F3N6OS
Molecular Weight486.61 g/mol
Exact Mass486.24
IUPAC Name8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane
SMILESCC.CC.Nc1nc(N2CCC3(CC2)OCCC3N)cnc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C18H21F3N6OS.2C2H6/c19-18(20,21)14-11(2-1-6-24-14)29-16-15(23)26-13(10-25-16)27-7-4-17(5-8-27)12(22)3-9-28-17;2*1-2/h1-2,6,10,12H,3-5,7-9,22H2,(H2,23,26);2*1-2H3
InChIKeyPWTOGVYMOHPQIG-UHFFFAOYSA-N
XLogP4.76
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane with MolForge

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Related Compounds

Batoprotafib
CID 118238370
US10301278, Example 29
CID 118239475
(3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 118247772
(4S)-8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118247999
(4R)-8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118248000
US10301278, Example 30
CID 118248909
US10336774, Example 44
CID 118247701
US10336774, Example 35
CID 118247719
US10336774, Example 47
CID 118247722
US10336774, Example 42
CID 118247726
US10336774, Example 43
CID 118247728
US10336774, Example 48
CID 118247757

Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane?
The IUPAC name of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane (CID 144887460) is 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane.
What is the SMILES notation for 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane?
The canonical SMILES for 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane is CC.CC.Nc1nc(N2CCC3(CC2)OCCC3N)cnc1Sc1cccnc1C(F)(F)F.
What is the InChIKey of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane?
The InChIKey is PWTOGVYMOHPQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6OS.2C2H6/c19-18(20,21)14-11(2-1-6-24-14)29-16-15(23)26-13(10-25-16)27-7-4-17(5-8-27)12(22)3-9-28-17;2*1-2/h1-2,6,10,12H,3-5,7-9,22H2,(H2,23,26);2*1-2H3.
What are the key properties of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane?
8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane has a molecular weight of 486.61 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;ethane is sourced from PubChem (CID 144887460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).