8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine

C19H21F5N6S — CID 118247722

IUPAC8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
SMILESNc1nc(N2CCC3(CC2)CC(F)(F)CC3N)cnc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C19H21F5N6S/c20-18(21)8-12(25)17(10-18)3-6-30(7-4-17)13-9-28-16(15(26)29-13)31-11-2-1-5-27-14(11)19(22,23)24/h1-2,5,9,12H,3-4,6-8,10,25H2,(H2,26,29)
InChIKeyWZNRWMKGPXDLSS-UHFFFAOYSA-N
MW460.48 g/mol
LogP3.97
Rot. Bonds3

About 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine

8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine (PubChem CID 118247722) has the molecular formula C19H21F5N6S and a molecular weight of 460.48 g/mol. Its IUPAC name is 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
PubChem CID118247722
Molecular FormulaC19H21F5N6S
Molecular Weight460.48 g/mol
Exact Mass460.15
IUPAC Name8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
SMILESNc1nc(N2CCC3(CC2)CC(F)(F)CC3N)cnc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C19H21F5N6S/c20-18(21)8-12(25)17(10-18)3-6-30(7-4-17)13-9-28-16(15(26)29-13)31-11-2-1-5-27-14(11)19(22,23)24/h1-2,5,9,12H,3-4,6-8,10,25H2,(H2,26,29)
InChIKeyWZNRWMKGPXDLSS-UHFFFAOYSA-N
XLogP3.97
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine (CID 118247722) is 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine is Nc1nc(N2CCC3(CC2)CC(F)(F)CC3N)cnc1Sc1cccnc1C(F)(F)F.
What is the InChIKey of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?
The InChIKey is WZNRWMKGPXDLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F5N6S/c20-18(21)8-12(25)17(10-18)3-6-30(7-4-17)13-9-28-16(15(26)29-13)31-11-2-1-5-27-14(11)19(22,23)24/h1-2,5,9,12H,3-4,6-8,10,25H2,(H2,26,29).
What are the key properties of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?
8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine has a molecular weight of 460.48 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 118247722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).