tert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

C25H27ClN6O3 — CID 10625035

IUPACtert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCN(c3ccccn3)CC1)c1cc(Cl)ccc1-2
InChIInChI=1S/C25H27ClN6O3/c1-25(2,3)35-23(33)22-20-15-31(19-14-17(26)7-8-18(19)32(20)16-28-22)24(34)30-12-10-29(11-13-30)21-6-4-5-9-27-21/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyQPXJTSJDDYOPOR-UHFFFAOYSA-N
MW494.98 g/mol
LogP4.14
Rot. Bonds2

About tert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

tert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (PubChem CID 10625035) has the molecular formula C25H27ClN6O3 and a molecular weight of 494.98 g/mol. Its IUPAC name is tert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
PubChem CID10625035
Molecular FormulaC25H27ClN6O3
Molecular Weight494.98 g/mol
Exact Mass494.18
IUPAC Nametert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCN(c3ccccn3)CC1)c1cc(Cl)ccc1-2
InChIInChI=1S/C25H27ClN6O3/c1-25(2,3)35-23(33)22-20-15-31(19-14-17(26)7-8-18(19)32(20)16-28-22)24(34)30-12-10-29(11-13-30)21-6-4-5-9-27-21/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyQPXJTSJDDYOPOR-UHFFFAOYSA-N
XLogP4.14
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.98
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-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 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The IUPAC name of tert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (CID 10625035) is tert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.
What is the SMILES notation for tert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The canonical SMILES for tert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCN(c3ccccn3)CC1)c1cc(Cl)ccc1-2.
What is the InChIKey of tert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The InChIKey is QPXJTSJDDYOPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O3/c1-25(2,3)35-23(33)22-20-15-31(19-14-17(26)7-8-18(19)32(20)16-28-22)24(34)30-12-10-29(11-13-30)21-6-4-5-9-27-21/h4-9,14,16H,10-13,15H2,1-3H3.
What are the key properties of tert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
tert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate has a molecular weight of 494.98 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is sourced from PubChem (CID 10625035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).