6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one

C25H26N8O3 — CID 71681578

IUPAC6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
SMILESCN(C)c1cnc(-c2nc(=O)n(CCC3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1
InChIInChI=1S/C25H26N8O3/c1-31(2)20-13-26-19(12-27-20)21-23-22(33(25(34)30-21)7-6-17-5-4-8-35-17)18-9-15(10-28-24(18)36-23)16-11-29-32(3)14-16/h9-14,17H,4-8H2,1-3H3
InChIKeyWYJSWDJMPDRABG-UHFFFAOYSA-N
MW486.54 g/mol
LogP3.03
Rot. Bonds6

About 6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one

6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one (PubChem CID 71681578) has the molecular formula C25H26N8O3 and a molecular weight of 486.54 g/mol. Its IUPAC name is 6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one.

Molecular Properties

Compound Name6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
PubChem CID71681578
Molecular FormulaC25H26N8O3
Molecular Weight486.54 g/mol
Exact Mass486.21
IUPAC Name6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
SMILESCN(C)c1cnc(-c2nc(=O)n(CCC3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1
InChIInChI=1S/C25H26N8O3/c1-31(2)20-13-26-19(12-27-20)21-23-22(33(25(34)30-21)7-6-17-5-4-8-35-17)18-9-15(10-28-24(18)36-23)16-11-29-32(3)14-16/h9-14,17H,4-8H2,1-3H3
InChIKeyWYJSWDJMPDRABG-UHFFFAOYSA-N
XLogP3.03
TPSA116.99 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The IUPAC name of 6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one (CID 71681578) is 6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one.
What is the SMILES notation for 6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The canonical SMILES for 6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one is CN(C)c1cnc(-c2nc(=O)n(CCC3CCCO3)c3c2oc2ncc(-c4cnn(C)c4)cc23)cn1.
What is the InChIKey of 6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The InChIKey is WYJSWDJMPDRABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O3/c1-31(2)20-13-26-19(12-27-20)21-23-22(33(25(34)30-21)7-6-17-5-4-8-35-17)18-9-15(10-28-24(18)36-23)16-11-29-32(3)14-16/h9-14,17H,4-8H2,1-3H3.
What are the key properties of 6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one has a molecular weight of 486.54 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(dimethylamino)pyrazin-2-yl]-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one is sourced from PubChem (CID 71681578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).