tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate

C20H30N4O2 — CID 176815649

IUPACtert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
SMILESCC(N)c1cn2cc(CN(CC3CCC3)C(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C20H30N4O2/c1-14(21)17-13-23-11-16(8-9-18(23)22-17)12-24(10-15-6-5-7-15)19(25)26-20(2,3)4/h8-9,11,13-15H,5-7,10,12,21H2,1-4H3
InChIKeyVIWIGCDELJVNJE-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.89
Rot. Bonds5

About tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate

tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate (PubChem CID 176815649) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
PubChem CID176815649
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Nametert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
SMILESCC(N)c1cn2cc(CN(CC3CCC3)C(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C20H30N4O2/c1-14(21)17-13-23-11-16(8-9-18(23)22-17)12-24(10-15-6-5-7-15)19(25)26-20(2,3)4/h8-9,11,13-15H,5-7,10,12,21H2,1-4H3
InChIKeyVIWIGCDELJVNJE-UHFFFAOYSA-N
XLogP3.89
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
CID 155167927
tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 176815698
tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 171084209
tert-butyl N-[[2-[[4-(5-bromo-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
CID 176815794
tert-butyl N-(cyclobutylmethyl)-N-[[2-[(6-methoxy-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 174344899
tert-butyl N-(cyclobutylmethyl)-N-[[2-[[4-[5-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 176815710
tert-butyl N-[[2-[[5-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-1,3,4-thiadiazol-2-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
CID 171084344
4-[1-[[6-[[cyclobutylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1-(oxan-2-yl)indazole-6-sulfinic acid
CID 155191170
methyl 4-[[cyclobutylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-cyclopropylpyridine-2-carboxylate
CID 172589241
tert-butyl N-[[4-(3,3-dimethylbutyl)phenyl]methyl]-N-(pyrazolidin-4-ylmethyl)carbamate
CID 159281394
tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate
CID 155167651
tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate
CID 146676934

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate?
The IUPAC name of tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate (CID 176815649) is tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate?
The canonical SMILES for tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate is CC(N)c1cn2cc(CN(CC3CCC3)C(=O)OC(C)(C)C)ccc2n1.
What is the InChIKey of tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate?
The InChIKey is VIWIGCDELJVNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14(21)17-13-23-11-16(8-9-18(23)22-17)12-24(10-15-6-5-7-15)19(25)26-20(2,3)4/h8-9,11,13-15H,5-7,10,12,21H2,1-4H3.
What are the key properties of tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate?
tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate has a molecular weight of 358.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate is sourced from PubChem (CID 176815649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).