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

C20H25F3N6S — CID 118238328

IUPAC8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine
SMILESCC1CCC2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1N
InChIInChI=1S/C20H25F3N6S/c1-12-4-5-19(15(12)24)6-9-29(10-7-19)14-11-27-18(17(25)28-14)30-13-3-2-8-26-16(13)20(21,22)23/h2-3,8,11-12,15H,4-7,9-10,24H2,1H3,(H2,25,28)
InChIKeyJEKOLHGTVUGXHG-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.97
Rot. Bonds3

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

8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine (PubChem CID 118238328) has the molecular formula C20H25F3N6S and a molecular weight of 438.52 g/mol. Its IUPAC name is 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine
PubChem CID118238328
Molecular FormulaC20H25F3N6S
Molecular Weight438.52 g/mol
Exact Mass438.18
IUPAC Name8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine
SMILESCC1CCC2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1N
InChIInChI=1S/C20H25F3N6S/c1-12-4-5-19(15(12)24)6-9-29(10-7-19)14-11-27-18(17(25)28-14)30-13-3-2-8-26-16(13)20(21,22)23/h2-3,8,11-12,15H,4-7,9-10,24H2,1H3,(H2,25,28)
InChIKeyJEKOLHGTVUGXHG-UHFFFAOYSA-N
XLogP3.97
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
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]-3-methyl-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine (CID 118238328) is 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-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]-3-methyl-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine is CC1CCC2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1N.
What is the InChIKey of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine?
The InChIKey is JEKOLHGTVUGXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6S/c1-12-4-5-19(15(12)24)6-9-29(10-7-19)14-11-27-18(17(25)28-14)30-13-3-2-8-26-16(13)20(21,22)23/h2-3,8,11-12,15H,4-7,9-10,24H2,1H3,(H2,25,28).
What are the key properties of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine?
8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine has a molecular weight of 438.52 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]-3-methyl-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 118238328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).