tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

C22H29N5O3 — CID 10645310

IUPACtert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESC[C@@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccccc32)C[C@H](C)N1
InChIInChI=1S/C22H29N5O3/c1-14-10-25(11-15(2)24-14)21(29)26-12-18-19(20(28)30-22(3,4)5)23-13-27(18)17-9-7-6-8-16(17)26/h6-9,13-15,24H,10-12H2,1-5H3/t14-,15+
InChIKeyRWYZMDFSFJADTQ-GASCZTMLSA-N
MW411.51 g/mol
LogP2.95
Rot. Bonds1

About tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (PubChem CID 10645310) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
PubChem CID10645310
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Nametert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESC[C@@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccccc32)C[C@H](C)N1
InChIInChI=1S/C22H29N5O3/c1-14-10-25(11-15(2)24-14)21(29)26-12-18-19(20(28)30-22(3,4)5)23-13-27(18)17-9-7-6-8-16(17)26/h6-9,13-15,24H,10-12H2,1-5H3/t14-,15+
InChIKeyRWYZMDFSFJADTQ-GASCZTMLSA-N
XLogP2.95
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate 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 tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The IUPAC name of tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (CID 10645310) is tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.
What is the SMILES notation for tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The canonical SMILES for tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is C[C@@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccccc32)C[C@H](C)N1.
What is the InChIKey of tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The InChIKey is RWYZMDFSFJADTQ-GASCZTMLSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-14-10-25(11-15(2)24-14)21(29)26-12-18-19(20(28)30-22(3,4)5)23-13-27(18)17-9-7-6-8-16(17)26/h6-9,13-15,24H,10-12H2,1-5H3/t14-,15+.
What are the key properties of tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate has a molecular weight of 411.51 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is sourced from PubChem (CID 10645310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).