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10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide

C28H23N7O4S — CID 155912279

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide
SMILESCOc1ccc2cc1OCC(=O)NCc1cc(C(=O)NCc3csc(-c4cnccn4)n3)cc(c1)-n1ccnc1-2
InChIInChI=1S/C28H23N7O4S/c1-38-23-3-2-18-11-24(23)39-15-25(36)32-12-17-8-19(10-21(9-17)35-7-6-31-26(18)35)27(37)33-13-20-16-40-28(34-20)22-14-29-4-5-30-22/h2-11,14,16H,12-13,15H2,1H3,(H,32,36)(H,33,37)
InChIKeyGFZRBAFQDOHQDD-UHFFFAOYSA-N
MW553.60 g/mol
LogP3.40
Rot. Bonds5

About 10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide

10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide (PubChem CID 155912279) has the molecular formula C28H23N7O4S and a molecular weight of 553.60 g/mol. Its IUPAC name is 10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide.

Molecular Properties

Compound Name10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide
PubChem CID155912279
Molecular FormulaC28H23N7O4S
Molecular Weight553.60 g/mol
Exact Mass553.15
IUPAC Name10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide
SMILESCOc1ccc2cc1OCC(=O)NCc1cc(C(=O)NCc3csc(-c4cnccn4)n3)cc(c1)-n1ccnc1-2
InChIInChI=1S/C28H23N7O4S/c1-38-23-3-2-18-11-24(23)39-15-25(36)32-12-17-8-19(10-21(9-17)35-7-6-31-26(18)35)27(37)33-13-20-16-40-28(34-20)22-14-29-4-5-30-22/h2-11,14,16H,12-13,15H2,1H3,(H,32,36)(H,33,37)
InChIKeyGFZRBAFQDOHQDD-UHFFFAOYSA-N
XLogP3.40
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.60
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide?
The IUPAC name of 10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide (CID 155912279) is 10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide.
What is the SMILES notation for 10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide?
The canonical SMILES for 10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide is COc1ccc2cc1OCC(=O)NCc1cc(C(=O)NCc3csc(-c4cnccn4)n3)cc(c1)-n1ccnc1-2.
What is the InChIKey of 10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide?
The InChIKey is GFZRBAFQDOHQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O4S/c1-38-23-3-2-18-11-24(23)39-15-25(36)32-12-17-8-19(10-21(9-17)35-7-6-31-26(18)35)27(37)33-13-20-16-40-28(34-20)22-14-29-4-5-30-22/h2-11,14,16H,12-13,15H2,1H3,(H,32,36)(H,33,37).
What are the key properties of 10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide?
10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide has a molecular weight of 553.60 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-14-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxamide is sourced from PubChem (CID 155912279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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