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

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 Name: 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
• Molecular Formula: C28H23N7O4S
• Molecular Weight: 553.60 g/mol
• Exact Mass: 553.15
• IUPAC Name: 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
• SMILES: COc1ccc2cc1OCC(=O)NCc1cc(C(=O)NCc3csc(-c4cnccn4)n3)cc(c1)-n1ccnc1-2
• InChI: 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)
• InChIKey: GFZRBAFQDOHQDD-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 133.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.60
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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).