tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate

C20H28ClN5O3 — CID 22236490

IUPACtert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C20H28ClN5O3/c1-12-11-26-16(22)15(21)9-14(17(26)24-12)18(27)23-10-13-5-7-25(8-6-13)19(28)29-20(2,3)4/h9,11,13H,5-8,10,22H2,1-4H3,(H,23,27)
InChIKeyKUQWFZYCCAZASR-UHFFFAOYSA-N
MW421.93 g/mol
LogP3.26
Rot. Bonds3

About tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 22236490) has the molecular formula C20H28ClN5O3 and a molecular weight of 421.93 g/mol. Its IUPAC name is tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate
PubChem CID22236490
Molecular FormulaC20H28ClN5O3
Molecular Weight421.93 g/mol
Exact Mass421.19
IUPAC Nametert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C20H28ClN5O3/c1-12-11-26-16(22)15(21)9-14(17(26)24-12)18(27)23-10-13-5-7-25(8-6-13)19(28)29-20(2,3)4/h9,11,13H,5-8,10,22H2,1-4H3,(H,23,27)
InChIKeyKUQWFZYCCAZASR-UHFFFAOYSA-N
XLogP3.26
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate 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

5-amino-6-chloro-N-[[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-8-carboxamide
CID 22313273
tert-butyl 4-[[(2-chloropyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 66569724
tert-butyl 4-[[(6-chloroquinoline-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 155391643
tert-butyl 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618226
tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 11701760
tert-butyl 4-[[[6-chloro-3-(ethylcarbamoyl)pyridazin-4-yl]amino]methyl]piperidine-1-carboxylate
CID 164599385
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
CID 174994554
tert-butyl (3R)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176279
tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 2810466
tert-butyl (3R)-3-[[(4-chlorobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 58748194
tert-butyl 4-[(3-bromo-4-chloroanilino)methyl]piperidine-1-carboxylate
CID 103743900
tert-butyl 4-[[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]methyl]piperidine-1-carboxylate
CID 58791136

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate (CID 22236490) is tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate is Cc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)c2n1.
What is the InChIKey of tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is KUQWFZYCCAZASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O3/c1-12-11-26-16(22)15(21)9-14(17(26)24-12)18(27)23-10-13-5-7-25(8-6-13)19(28)29-20(2,3)4/h9,11,13H,5-8,10,22H2,1-4H3,(H,23,27).
What are the key properties of tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 421.93 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(5-amino-6-chloro-2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 22236490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).