6-(1-methylpyrazol-3-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

C23H23N7O3 — CID 71681737

IUPAC6-(1-methylpyrazol-3-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
SMILESCn1cc(-c2cnc3oc4c(-c5ccn(C)n5)nc(=O)n(CCC5CCCO5)c4c3c2)cn1
InChIInChI=1S/C23H23N7O3/c1-28-7-6-18(27-28)19-21-20(30(23(31)26-19)8-5-16-4-3-9-32-16)17-10-14(11-24-22(17)33-21)15-12-25-29(2)13-15/h6-7,10-13,16H,3-5,8-9H2,1-2H3
InChIKeyFVJHLTPVETWPQD-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.91
Rot. Bonds5

About 6-(1-methylpyrazol-3-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-(1-methylpyrazol-3-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 71681737) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 6-(1-methylpyrazol-3-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-(1-methylpyrazol-3-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 CID71681737
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name6-(1-methylpyrazol-3-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
SMILESCn1cc(-c2cnc3oc4c(-c5ccn(C)n5)nc(=O)n(CCC5CCCO5)c4c3c2)cn1
InChIInChI=1S/C23H23N7O3/c1-28-7-6-18(27-28)19-21-20(30(23(31)26-19)8-5-16-4-3-9-32-16)17-10-14(11-24-22(17)33-21)15-12-25-29(2)13-15/h6-7,10-13,16H,3-5,8-9H2,1-2H3
InChIKeyFVJHLTPVETWPQD-UHFFFAOYSA-N
XLogP2.91
TPSA105.79 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-(1-methylpyrazol-3-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-3-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-(1-methylpyrazol-3-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 71681737) is 6-(1-methylpyrazol-3-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-(1-methylpyrazol-3-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-(1-methylpyrazol-3-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 Cn1cc(-c2cnc3oc4c(-c5ccn(C)n5)nc(=O)n(CCC5CCCO5)c4c3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-3-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 FVJHLTPVETWPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-28-7-6-18(27-28)19-21-20(30(23(31)26-19)8-5-16-4-3-9-32-16)17-10-14(11-24-22(17)33-21)15-12-25-29(2)13-15/h6-7,10-13,16H,3-5,8-9H2,1-2H3.
What are the key properties of 6-(1-methylpyrazol-3-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-(1-methylpyrazol-3-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 445.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-3-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 71681737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).