8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one

C22H26N8O2 — CID 66744956

IUPAC8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCNCc1ccc(-c2nnc(-c3nc(N4CCC5(CCNC5=O)CC4)cnc3N)o2)cc1
InChIInChI=1S/C22H26N8O2/c1-24-12-14-2-4-15(5-3-14)19-28-29-20(32-19)17-18(23)26-13-16(27-17)30-10-7-22(8-11-30)6-9-25-21(22)31/h2-5,13,24H,6-12H2,1H3,(H2,23,26)(H,25,31)
InChIKeyFRDUIJQNIAAAEL-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.60
Rot. Bonds5

About 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one

8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 66744956) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID66744956
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCNCc1ccc(-c2nnc(-c3nc(N4CCC5(CCNC5=O)CC4)cnc3N)o2)cc1
InChIInChI=1S/C22H26N8O2/c1-24-12-14-2-4-15(5-3-14)19-28-29-20(32-19)17-18(23)26-13-16(27-17)30-10-7-22(8-11-30)6-9-25-21(22)31/h2-5,13,24H,6-12H2,1H3,(H2,23,26)(H,25,31)
InChIKeyFRDUIJQNIAAAEL-UHFFFAOYSA-N
XLogP1.60
TPSA135.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one (CID 66744956) is 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one is CNCc1ccc(-c2nnc(-c3nc(N4CCC5(CCNC5=O)CC4)cnc3N)o2)cc1.
What is the InChIKey of 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is FRDUIJQNIAAAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-24-12-14-2-4-15(5-3-14)19-28-29-20(32-19)17-18(23)26-13-16(27-17)30-10-7-22(8-11-30)6-9-25-21(22)31/h2-5,13,24H,6-12H2,1H3,(H2,23,26)(H,25,31).
What are the key properties of 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one?
8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 434.50 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 66744956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).