bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine

C38H48N6O4 — CID 162029209

IUPACbis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)(C)OC(=O)N1CCCC1.CC(C)(C)OC(=O)N1CCCC1.c1cn2ccc(-c3ccc(-c4ccn5ccnc5c4)cc3)cc2n1
InChIInChI=1S/C20H14N4.2C9H17NO2/c1-2-16(18-6-10-24-12-8-22-20(24)14-18)4-3-15(1)17-5-9-23-11-7-21-19(23)13-17;2*1-9(2,3)12-8(11)10-6-4-5-7-10/h1-14H;2*4-7H2,1-3H3
InChIKeyYVUHGYLLWZQKLC-UHFFFAOYSA-N
MW652.84 g/mol
LogP8.35
Rot. Bonds2

About bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine

bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine (PubChem CID 162029209) has the molecular formula C38H48N6O4 and a molecular weight of 652.84 g/mol. Its IUPAC name is bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Namebis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine
PubChem CID162029209
Molecular FormulaC38H48N6O4
Molecular Weight652.84 g/mol
Exact Mass652.37
IUPAC Namebis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)(C)OC(=O)N1CCCC1.CC(C)(C)OC(=O)N1CCCC1.c1cn2ccc(-c3ccc(-c4ccn5ccnc5c4)cc3)cc2n1
InChIInChI=1S/C20H14N4.2C9H17NO2/c1-2-16(18-6-10-24-12-8-22-20(24)14-18)4-3-15(1)17-5-9-23-11-7-21-19(23)13-17;2*1-9(2,3)12-8(11)10-6-4-5-7-10/h1-14H;2*4-7H2,1-3H3
InChIKeyYVUHGYLLWZQKLC-UHFFFAOYSA-N
XLogP8.35
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine 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 bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine (CID 162029209) is bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine is CC(C)(C)OC(=O)N1CCCC1.CC(C)(C)OC(=O)N1CCCC1.c1cn2ccc(-c3ccc(-c4ccn5ccnc5c4)cc3)cc2n1.
What is the InChIKey of bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is YVUHGYLLWZQKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4.2C9H17NO2/c1-2-16(18-6-10-24-12-8-22-20(24)14-18)4-3-15(1)17-5-9-23-11-7-21-19(23)13-17;2*1-9(2,3)12-8(11)10-6-4-5-7-10/h1-14H;2*4-7H2,1-3H3.
What are the key properties of bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine?
bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 652.84 g/mol, XLogP of 8.35, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl pyrrolidine-1-carboxylate);7-(4-imidazo[1,2-a]pyridin-7-ylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 162029209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).