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

C19H23F3N6S — CID 118247913

IUPAC(4R)-8-[6-amino-5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccncc1C(F)(F)F
InChIInChI=1S/C19H23F3N6S/c20-19(21,22)12-10-25-7-3-13(12)29-17-16(24)27-15(11-26-17)28-8-5-18(6-9-28)4-1-2-14(18)23/h3,7,10-11,14H,1-2,4-6,8-9,23H2,(H2,24,27)/t14-/m1/s1
InChIKeyJQDCFSQIVODGRD-CQSZACIVSA-N
MW424.50 g/mol
LogP3.72
Rot. Bonds3

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

(4R)-8-[6-amino-5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 118247913) has the molecular formula C19H23F3N6S and a molecular weight of 424.50 g/mol. Its IUPAC name is (4R)-8-[6-amino-5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[6-amino-5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID118247913
Molecular FormulaC19H23F3N6S
Molecular Weight424.50 g/mol
Exact Mass424.17
IUPAC Name(4R)-8-[6-amino-5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccncc1C(F)(F)F
InChIInChI=1S/C19H23F3N6S/c20-19(21,22)12-10-25-7-3-13(12)29-17-16(24)27-15(11-26-17)28-8-5-18(6-9-28)4-1-2-14(18)23/h3,7,10-11,14H,1-2,4-6,8-9,23H2,(H2,24,27)/t14-/m1/s1
InChIKeyJQDCFSQIVODGRD-CQSZACIVSA-N
XLogP3.72
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[6-amino-5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[6-amino-5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine (CID 118247913) is (4R)-8-[6-amino-5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[6-amino-5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[6-amino-5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine is Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccncc1C(F)(F)F.
What is the InChIKey of (4R)-8-[6-amino-5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is JQDCFSQIVODGRD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23F3N6S/c20-19(21,22)12-10-25-7-3-13(12)29-17-16(24)27-15(11-26-17)28-8-5-18(6-9-28)4-1-2-14(18)23/h3,7,10-11,14H,1-2,4-6,8-9,23H2,(H2,24,27)/t14-/m1/s1.
What are the key properties of (4R)-8-[6-amino-5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[6-amino-5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 424.50 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[6-amino-5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 118247913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).