12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C26H20N6O — CID 58354639

IUPAC12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1cncc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(OCCn5ccnc5)cc4)cc23)c1
InChIInChI=1S/C26H20N6O/c1-2-19(14-27-7-1)24-13-22-23-12-20(15-30-26(23)31-25(22)16-29-24)18-3-5-21(6-4-18)33-11-10-32-9-8-28-17-32/h1-9,12-17H,10-11H2,(H,30,31)
InChIKeySWTWNJYIBGHHCY-UHFFFAOYSA-N
MW432.49 g/mol
LogP5.12
Rot. Bonds6

About 12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 58354639) has the molecular formula C26H20N6O and a molecular weight of 432.49 g/mol. Its IUPAC name is 12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID58354639
Molecular FormulaC26H20N6O
Molecular Weight432.49 g/mol
Exact Mass432.17
IUPAC Name12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1cncc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(OCCn5ccnc5)cc4)cc23)c1
InChIInChI=1S/C26H20N6O/c1-2-19(14-27-7-1)24-13-22-23-12-20(15-30-26(23)31-25(22)16-29-24)18-3-5-21(6-4-18)33-11-10-32-9-8-28-17-32/h1-9,12-17H,10-11H2,(H,30,31)
InChIKeySWTWNJYIBGHHCY-UHFFFAOYSA-N
XLogP5.12
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene 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 12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 58354639) is 12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1cncc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(OCCn5ccnc5)cc4)cc23)c1.
What is the InChIKey of 12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is SWTWNJYIBGHHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O/c1-2-19(14-27-7-1)24-13-22-23-12-20(15-30-26(23)31-25(22)16-29-24)18-3-5-21(6-4-18)33-11-10-32-9-8-28-17-32/h1-9,12-17H,10-11H2,(H,30,31).
What are the key properties of 12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 432.49 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 58354639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).