4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one

C20H23FN6O2S — CID 138585248

IUPAC4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one
SMILESNc1nc(N2CCC3(CC2)COCC3N)cnc1Sc1cccc2c1C(F)C(=O)N2
InChIInChI=1S/C20H23FN6O2S/c21-16-15-11(25-18(16)28)2-1-3-12(15)30-19-17(23)26-14(8-24-19)27-6-4-20(5-7-27)10-29-9-13(20)22/h1-3,8,13,16H,4-7,9-10,22H2,(H2,23,26)(H,25,28)
InChIKeyRALSMLNKPZXFOY-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.12
Rot. Bonds3

About 4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one

4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one (PubChem CID 138585248) has the molecular formula C20H23FN6O2S and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one
PubChem CID138585248
Molecular FormulaC20H23FN6O2S
Molecular Weight430.51 g/mol
Exact Mass430.16
IUPAC Name4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one
SMILESNc1nc(N2CCC3(CC2)COCC3N)cnc1Sc1cccc2c1C(F)C(=O)N2
InChIInChI=1S/C20H23FN6O2S/c21-16-15-11(25-18(16)28)2-1-3-12(15)30-19-17(23)26-14(8-24-19)27-6-4-20(5-7-27)10-29-9-13(20)22/h1-3,8,13,16H,4-7,9-10,22H2,(H2,23,26)(H,25,28)
InChIKeyRALSMLNKPZXFOY-UHFFFAOYSA-N
XLogP2.12
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one (CID 138585248) is 4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one is Nc1nc(N2CCC3(CC2)COCC3N)cnc1Sc1cccc2c1C(F)C(=O)N2.
What is the InChIKey of 4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one?
The InChIKey is RALSMLNKPZXFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2S/c21-16-15-11(25-18(16)28)2-1-3-12(15)30-19-17(23)26-14(8-24-19)27-6-4-20(5-7-27)10-29-9-13(20)22/h1-3,8,13,16H,4-7,9-10,22H2,(H2,23,26)(H,25,28).
What are the key properties of 4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one?
4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one has a molecular weight of 430.51 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 138585248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).