8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one

C21H12F3N5O2 — CID 118426615

IUPAC8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one
SMILESO=c1c2nccnc2c(-c2ccc3nccn3c2)cn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H12F3N5O2/c22-21(23,24)31-15-4-2-14(3-5-15)29-12-16(18-19(20(29)30)27-8-7-26-18)13-1-6-17-25-9-10-28(17)11-13/h1-12H
InChIKeyKDLCAGXMPCRLDY-UHFFFAOYSA-N
MW423.35 g/mol
LogP3.99
Rot. Bonds3

About 8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one

8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one (PubChem CID 118426615) has the molecular formula C21H12F3N5O2 and a molecular weight of 423.35 g/mol. Its IUPAC name is 8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one
PubChem CID118426615
Molecular FormulaC21H12F3N5O2
Molecular Weight423.35 g/mol
Exact Mass423.09
IUPAC Name8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one
SMILESO=c1c2nccnc2c(-c2ccc3nccn3c2)cn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H12F3N5O2/c22-21(23,24)31-15-4-2-14(3-5-15)29-12-16(18-19(20(29)30)27-8-7-26-18)13-1-6-17-25-9-10-28(17)11-13/h1-12H
InChIKeyKDLCAGXMPCRLDY-UHFFFAOYSA-N
XLogP3.99
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-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 8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one?
The IUPAC name of 8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one (CID 118426615) is 8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one.
What is the SMILES notation for 8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one?
The canonical SMILES for 8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one is O=c1c2nccnc2c(-c2ccc3nccn3c2)cn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one?
The InChIKey is KDLCAGXMPCRLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N5O2/c22-21(23,24)31-15-4-2-14(3-5-15)29-12-16(18-19(20(29)30)27-8-7-26-18)13-1-6-17-25-9-10-28(17)11-13/h1-12H.
What are the key properties of 8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one?
8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one has a molecular weight of 423.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imidazo[1,2-a]pyridin-6-yl-6-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one is sourced from PubChem (CID 118426615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).