(4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione

C23H22N6O5 — CID 67434000

IUPAC(4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
SMILESCc1c2c(cc3c(-c4cnccn4)noc13)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@@H](C)O[C@@H](C)CN21
InChIInChI=1S/C23H22N6O5/c1-10-9-29-17-11(2)18-14(16(28-34-18)15-8-24-4-5-25-15)6-13(17)7-23(19(29)12(3)33-10)20(30)26-22(32)27-21(23)31/h4-6,8,10,12,19H,7,9H2,1-3H3,(H2,26,27,30,31,32)/t10-,12+,19-/m0/s1
InChIKeySLJMUZVHADMOHF-DJHSXXLPSA-N
MW462.47 g/mol
LogP1.48
Rot. Bonds1

About (4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione

(4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione (PubChem CID 67434000) has the molecular formula C23H22N6O5 and a molecular weight of 462.47 g/mol. Its IUPAC name is (4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione.

Molecular Properties

Compound Name(4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
PubChem CID67434000
Molecular FormulaC23H22N6O5
Molecular Weight462.47 g/mol
Exact Mass462.17
IUPAC Name(4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
SMILESCc1c2c(cc3c(-c4cnccn4)noc13)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@@H](C)O[C@@H](C)CN21
InChIInChI=1S/C23H22N6O5/c1-10-9-29-17-11(2)18-14(16(28-34-18)15-8-24-4-5-25-15)6-13(17)7-23(19(29)12(3)33-10)20(30)26-22(32)27-21(23)31/h4-6,8,10,12,19H,7,9H2,1-3H3,(H2,26,27,30,31,32)/t10-,12+,19-/m0/s1
InChIKeySLJMUZVHADMOHF-DJHSXXLPSA-N
XLogP1.48
TPSA139.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?
The IUPAC name of (4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione (CID 67434000) is (4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione.
What is the SMILES notation for (4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?
The canonical SMILES for (4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione is Cc1c2c(cc3c(-c4cnccn4)noc13)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@@H](C)O[C@@H](C)CN21.
What is the InChIKey of (4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?
The InChIKey is SLJMUZVHADMOHF-DJHSXXLPSA-N. The full InChI is InChI=1S/C23H22N6O5/c1-10-9-29-17-11(2)18-14(16(28-34-18)15-8-24-4-5-25-15)6-13(17)7-23(19(29)12(3)33-10)20(30)26-22(32)27-21(23)31/h4-6,8,10,12,19H,7,9H2,1-3H3,(H2,26,27,30,31,32)/t10-,12+,19-/m0/s1.
What are the key properties of (4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione?
(4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione has a molecular weight of 462.47 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4'S,6'R,7'R)-4',6',17'-trimethyl-13'-pyrazin-2-ylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione is sourced from PubChem (CID 67434000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).