N-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine

C19H20F3N7S — CID 155796555

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine
SMILESFC(F)(F)c1ncccc1Sc1cnc2nc(NC3CCNC4(CCC4)C3)[nH]c2n1
InChIInChI=1S/C19H20F3N7S/c20-19(21,22)14-12(3-1-7-23-14)30-13-10-24-15-16(27-13)29-17(28-15)26-11-4-8-25-18(9-11)5-2-6-18/h1,3,7,10-11,25H,2,4-6,8-9H2,(H2,24,26,27,28,29)
InChIKeyOGJORJNQHHXWSX-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.00
Rot. Bonds4

About N-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine

N-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine (PubChem CID 155796555) has the molecular formula C19H20F3N7S and a molecular weight of 435.48 g/mol. Its IUPAC name is N-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine
PubChem CID155796555
Molecular FormulaC19H20F3N7S
Molecular Weight435.48 g/mol
Exact Mass435.15
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine
SMILESFC(F)(F)c1ncccc1Sc1cnc2nc(NC3CCNC4(CCC4)C3)[nH]c2n1
InChIInChI=1S/C19H20F3N7S/c20-19(21,22)14-12(3-1-7-23-14)30-13-10-24-15-16(27-13)29-17(28-15)26-11-4-8-25-18(9-11)5-2-6-18/h1,3,7,10-11,25H,2,4-6,8-9H2,(H2,24,26,27,28,29)
InChIKeyOGJORJNQHHXWSX-UHFFFAOYSA-N
XLogP4.00
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine (CID 155796555) is N-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine is FC(F)(F)c1ncccc1Sc1cnc2nc(NC3CCNC4(CCC4)C3)[nH]c2n1.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
The InChIKey is OGJORJNQHHXWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7S/c20-19(21,22)14-12(3-1-7-23-14)30-13-10-24-15-16(27-13)29-17(28-15)26-11-4-8-25-18(9-11)5-2-6-18/h1,3,7,10-11,25H,2,4-6,8-9H2,(H2,24,26,27,28,29).
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine?
N-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine has a molecular weight of 435.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[3.5]nonan-8-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine is sourced from PubChem (CID 155796555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).