6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione

C21H24ClN5O2 — CID 146465606

IUPAC6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
SMILESCC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CCN(c3cnccn3)C2)C1=O
InChIInChI=1S/C21H24ClN5O2/c1-15(2)26-13-19(28)27(12-16-3-5-17(22)6-4-16)21(20(26)29)7-10-25(14-21)18-11-23-8-9-24-18/h3-6,8-9,11,15H,7,10,12-14H2,1-2H3
InChIKeyNXQWSNMEYBQFKI-UHFFFAOYSA-N
MW413.91 g/mol
LogP2.36
Rot. Bonds4

About 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione

6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione (PubChem CID 146465606) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
PubChem CID146465606
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC Name6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
SMILESCC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CCN(c3cnccn3)C2)C1=O
InChIInChI=1S/C21H24ClN5O2/c1-15(2)26-13-19(28)27(12-16-3-5-17(22)6-4-16)21(20(26)29)7-10-25(14-21)18-11-23-8-9-24-18/h3-6,8-9,11,15H,7,10,12-14H2,1-2H3
InChIKeyNXQWSNMEYBQFKI-UHFFFAOYSA-N
XLogP2.36
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione (CID 146465606) is 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione is CC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CCN(c3cnccn3)C2)C1=O.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
The InChIKey is NXQWSNMEYBQFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2/c1-15(2)26-13-19(28)27(12-16-3-5-17(22)6-4-16)21(20(26)29)7-10-25(14-21)18-11-23-8-9-24-18/h3-6,8-9,11,15H,7,10,12-14H2,1-2H3.
What are the key properties of 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione?
6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione has a molecular weight of 413.91 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 146465606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).