4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide

C22H19F3N6O — CID 170783879

IUPAC4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide
SMILESC[C@@H](c1ccc(C(F)(F)F)cn1)N(C(=O)c1ccc2nc(N)c3cncn3c2c1)C1CC1
InChIInChI=1S/C22H19F3N6O/c1-12(16-7-3-14(9-28-16)22(23,24)25)31(15-4-5-15)21(32)13-2-6-17-18(8-13)30-11-27-10-19(30)20(26)29-17/h2-3,6-12,15H,4-5H2,1H3,(H2,26,29)/t12-/m0/s1
InChIKeyGOEMMSQLQXBTFS-LBPRGKRZSA-N
MW440.43 g/mol
LogP4.24
Rot. Bonds4

About 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide

4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide (PubChem CID 170783879) has the molecular formula C22H19F3N6O and a molecular weight of 440.43 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide
PubChem CID170783879
Molecular FormulaC22H19F3N6O
Molecular Weight440.43 g/mol
Exact Mass440.16
IUPAC Name4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide
SMILESC[C@@H](c1ccc(C(F)(F)F)cn1)N(C(=O)c1ccc2nc(N)c3cncn3c2c1)C1CC1
InChIInChI=1S/C22H19F3N6O/c1-12(16-7-3-14(9-28-16)22(23,24)25)31(15-4-5-15)21(32)13-2-6-17-18(8-13)30-11-27-10-19(30)20(26)29-17/h2-3,6-12,15H,4-5H2,1H3,(H2,26,29)/t12-/m0/s1
InChIKeyGOEMMSQLQXBTFS-LBPRGKRZSA-N
XLogP4.24
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-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 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide (CID 170783879) is 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide is C[C@@H](c1ccc(C(F)(F)F)cn1)N(C(=O)c1ccc2nc(N)c3cncn3c2c1)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide?
The InChIKey is GOEMMSQLQXBTFS-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H19F3N6O/c1-12(16-7-3-14(9-28-16)22(23,24)25)31(15-4-5-15)21(32)13-2-6-17-18(8-13)30-11-27-10-19(30)20(26)29-17/h2-3,6-12,15H,4-5H2,1H3,(H2,26,29)/t12-/m0/s1.
What are the key properties of 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide?
4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,5-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 170783879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).