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

C19H22F3N5OS — CID 135225735

IUPAC6-[(4S)-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-/m0/s1
InChIKeyVSPWNRWJCUPFGB-LBPRGKRZSA-N
MW425.48 g/mol
LogP4.02
Rot. Bonds3

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

6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 135225735) has the molecular formula C19H22F3N5OS and a molecular weight of 425.48 g/mol. Its IUPAC name is 6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
PubChem CID135225735
Molecular FormulaC19H22F3N5OS
Molecular Weight425.48 g/mol
Exact Mass425.15
IUPAC Name6-[(4S)-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-/m0/s1
InChIKeyVSPWNRWJCUPFGB-LBPRGKRZSA-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-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4S)-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-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (CID 135225735) is 6-[(4S)-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-[(4S)-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-[(4S)-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-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The InChIKey is VSPWNRWJCUPFGB-LBPRGKRZSA-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-/m0/s1.
What are the key properties of 6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
6-[(4S)-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-[(4S)-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 135225735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).