2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

C25H17F3N6O2 — CID 91933868

IUPAC2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNC(=O)c1c(N)n(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c2nc3ccccc3nc12
InChIInChI=1S/C25H17F3N6O2/c26-25(27,28)14-6-4-7-15(12-14)31-24(36)13-5-3-8-16(11-13)34-21(29)19(22(30)35)20-23(34)33-18-10-2-1-9-17(18)32-20/h1-12H,29H2,(H2,30,35)(H,31,36)
InChIKeyWCBZRASNLTVWDT-UHFFFAOYSA-N
MW490.45 g/mol
LogP4.53
Rot. Bonds4

About 2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 91933868) has the molecular formula C25H17F3N6O2 and a molecular weight of 490.45 g/mol. Its IUPAC name is 2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID91933868
Molecular FormulaC25H17F3N6O2
Molecular Weight490.45 g/mol
Exact Mass490.14
IUPAC Name2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNC(=O)c1c(N)n(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c2nc3ccccc3nc12
InChIInChI=1S/C25H17F3N6O2/c26-25(27,28)14-6-4-7-15(12-14)31-24(36)13-5-3-8-16(11-13)34-21(29)19(22(30)35)20-23(34)33-18-10-2-1-9-17(18)32-20/h1-12H,29H2,(H2,30,35)(H,31,36)
InChIKeyWCBZRASNLTVWDT-UHFFFAOYSA-N
XLogP4.53
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.45
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide 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 2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 91933868) is 2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is NC(=O)c1c(N)n(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is WCBZRASNLTVWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N6O2/c26-25(27,28)14-6-4-7-15(12-14)31-24(36)13-5-3-8-16(11-13)34-21(29)19(22(30)35)20-23(34)33-18-10-2-1-9-17(18)32-20/h1-12H,29H2,(H2,30,35)(H,31,36).
What are the key properties of 2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 490.45 g/mol, XLogP of 4.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 91933868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).