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

C20H25F3N6OS — CID 123373245

IUPAC8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol
SMILESCNC1CC(O)CC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2
InChIInChI=1S/C20H25F3N6OS/c1-25-14-9-12(30)10-19(14)4-7-29(8-5-19)15-11-27-18(17(24)28-15)31-13-3-2-6-26-16(13)20(21,22)23/h2-3,6,11-12,14,25,30H,4-5,7-10H2,1H3,(H2,24,28)
InChIKeyCKEMHJXRCLBUAU-UHFFFAOYSA-N
MW454.52 g/mol
LogP2.95
Rot. Bonds4

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

8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol (PubChem CID 123373245) has the molecular formula C20H25F3N6OS and a molecular weight of 454.52 g/mol. Its IUPAC name is 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol.

Molecular Properties

Compound Name8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol
PubChem CID123373245
Molecular FormulaC20H25F3N6OS
Molecular Weight454.52 g/mol
Exact Mass454.18
IUPAC Name8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol
SMILESCNC1CC(O)CC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2
InChIInChI=1S/C20H25F3N6OS/c1-25-14-9-12(30)10-19(14)4-7-29(8-5-19)15-11-27-18(17(24)28-15)31-13-3-2-6-26-16(13)20(21,22)23/h2-3,6,11-12,14,25,30H,4-5,7-10H2,1H3,(H2,24,28)
InChIKeyCKEMHJXRCLBUAU-UHFFFAOYSA-N
XLogP2.95
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol with MolForge

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Related Compounds

US10301278, Example 29
CID 118239475
(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
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
US10336774, Example 49
CID 118247758
US10336774, Example 85
CID 118247851
US10336774, Example 5
CID 118247856

Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol?
The IUPAC name of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol (CID 123373245) is 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol.
What is the SMILES notation for 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol?
The canonical SMILES for 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol is CNC1CC(O)CC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.
What is the InChIKey of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol?
The InChIKey is CKEMHJXRCLBUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6OS/c1-25-14-9-12(30)10-19(14)4-7-29(8-5-19)15-11-27-18(17(24)28-15)31-13-3-2-6-26-16(13)20(21,22)23/h2-3,6,11-12,14,25,30H,4-5,7-10H2,1H3,(H2,24,28).
What are the key properties of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol?
8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol has a molecular weight of 454.52 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 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]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol is sourced from PubChem (CID 123373245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).