17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione

C22H28N6O5 — CID 157014434

About 17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione

17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione (PubChem CID 157014434) has the molecular formula C22H28N6O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is 17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione.

Molecular Properties

• Compound Name: 17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione
• PubChem CID: 157014434
• Molecular Formula: C22H28N6O5
• Molecular Weight: 456.50 g/mol
• Exact Mass: 456.21
• IUPAC Name: 17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione
• SMILES: COc1ccc2c(c1)OCCNC(=O)CN(C(=O)C1CCc3ncnn3C1)CCCNC2=O
• InChI: InChI=1S/C22H28N6O5/c1-32-16-4-5-17-18(11-16)33-10-8-23-20(29)13-27(9-2-7-24-21(17)30)22(31)15-3-6-19-25-14-26-28(19)12-15/h4-5,11,14-15H,2-3,6-10,12-13H2,1H3,(H,23,29)(H,24,30)
• InChIKey: BJCAFLLSYYDULO-UHFFFAOYSA-N
• XLogP: 0.01
• TPSA: 127.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione?

The IUPAC name of 17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione (CID 157014434) is 17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione.

What is the SMILES notation for 17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione?

The canonical SMILES for 17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione is COc1ccc2c(c1)OCCNC(=O)CN(C(=O)C1CCc3ncnn3C1)CCCNC2=O.

What is the InChIKey of 17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione?

The InChIKey is BJCAFLLSYYDULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O5/c1-32-16-4-5-17-18(11-16)33-10-8-23-20(29)13-27(9-2-7-24-21(17)30)22(31)15-3-6-19-25-14-26-28(19)12-15/h4-5,11,14-15H,2-3,6-10,12-13H2,1H3,(H,23,29)(H,24,30).

What are the key properties of 17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione?

17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione has a molecular weight of 456.50 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione is sourced from PubChem (CID 157014434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).