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

C20H25F3N6OS — CID 123265954

IUPAC8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine
SMILESCOC1CC(N)C2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1
InChIInChI=1S/C20H25F3N6OS/c1-30-12-9-14(24)19(10-12)4-7-29(8-5-19)15-11-27-18(17(25)28-15)31-13-3-2-6-26-16(13)20(21,22)23/h2-3,6,11-12,14H,4-5,7-10,24H2,1H3,(H2,25,28)
InChIKeyBURYHKSAMNHGEY-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.35
Rot. Bonds4

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

8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine (PubChem CID 123265954) 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]-2-methoxy-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine
PubChem CID123265954
Molecular FormulaC20H25F3N6OS
Molecular Weight454.52 g/mol
Exact Mass454.18
IUPAC Name8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine
SMILESCOC1CC(N)C2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1
InChIInChI=1S/C20H25F3N6OS/c1-30-12-9-14(24)19(10-12)4-7-29(8-5-19)15-11-27-18(17(25)28-15)31-13-3-2-6-26-16(13)20(21,22)23/h2-3,6,11-12,14H,4-5,7-10,24H2,1H3,(H2,25,28)
InChIKeyBURYHKSAMNHGEY-UHFFFAOYSA-N
XLogP3.35
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

Batoprotafib
CID 118238370
US10301278, Example 29
CID 118239475
(3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 118247772
(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

Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine (CID 123265954) is 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methoxy-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]-2-methoxy-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine is COC1CC(N)C2(CCN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC2)C1.
What is the InChIKey of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine?
The InChIKey is BURYHKSAMNHGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6OS/c1-30-12-9-14(24)19(10-12)4-7-29(8-5-19)15-11-27-18(17(25)28-15)31-13-3-2-6-26-16(13)20(21,22)23/h2-3,6,11-12,14H,4-5,7-10,24H2,1H3,(H2,25,28).
What are the key properties of 8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine?
8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine has a molecular weight of 454.52 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 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]-2-methoxy-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 123265954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).