6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

C19H22F3N5OS — CID 135225739

IUPAC6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESC[C@@H]1CCOC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2
InChIInChI=1S/C19H22F3N5OS/c1-12-4-10-28-18(12)5-8-27(9-6-18)14-11-25-17(16(23)26-14)29-13-3-2-7-24-15(13)19(20,21)22/h2-3,7,11-12H,4-6,8-10H2,1H3,(H2,23,26)/t12-/m1/s1
InChIKeyVSPWNRWJCUPFGB-GFCCVEGCSA-N
MW425.48 g/mol
LogP4.02
Rot. Bonds3

About 6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 135225739) has the molecular formula C19H22F3N5OS and a molecular weight of 425.48 g/mol. Its IUPAC name is 6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
PubChem CID135225739
Molecular FormulaC19H22F3N5OS
Molecular Weight425.48 g/mol
Exact Mass425.15
IUPAC Name6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESC[C@@H]1CCOC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2
InChIInChI=1S/C19H22F3N5OS/c1-12-4-10-28-18(12)5-8-27(9-6-18)14-11-25-17(16(23)26-14)29-13-3-2-7-24-15(13)19(20,21)22/h2-3,7,11-12H,4-6,8-10H2,1H3,(H2,23,26)/t12-/m1/s1
InChIKeyVSPWNRWJCUPFGB-GFCCVEGCSA-N
XLogP4.02
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine 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
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
US10336774, Example 49
CID 118247758
US10336774, Example 85
CID 118247851

Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The IUPAC name of 6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (CID 135225739) is 6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The canonical SMILES for 6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is C[C@@H]1CCOC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.
What is the InChIKey of 6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The InChIKey is VSPWNRWJCUPFGB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22F3N5OS/c1-12-4-10-28-18(12)5-8-27(9-6-18)14-11-25-17(16(23)26-14)29-13-3-2-7-24-15(13)19(20,21)22/h2-3,7,11-12H,4-6,8-10H2,1H3,(H2,23,26)/t12-/m1/s1.
What are the key properties of 6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 425.48 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 135225739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).