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

C19H26ClN3O2 — CID 155167927

IUPACtert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc2nc(CCl)cn2c1)CC1CCC1
InChIInChI=1S/C19H26ClN3O2/c1-19(2,3)25-18(24)23(10-14-5-4-6-14)12-15-7-8-17-21-16(9-20)13-22(17)11-15/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3
InChIKeyJJYBXDCXTOUBGE-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.61
Rot. Bonds5

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

tert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate (PubChem CID 155167927) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is tert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
PubChem CID155167927
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Nametert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc2nc(CCl)cn2c1)CC1CCC1
InChIInChI=1S/C19H26ClN3O2/c1-19(2,3)25-18(24)23(10-14-5-4-6-14)12-15-7-8-17-21-16(9-20)13-22(17)11-15/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3
InChIKeyJJYBXDCXTOUBGE-UHFFFAOYSA-N
XLogP4.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
CID 176815649
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-[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-[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
tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate
CID 155167651
methyl 4-[[cyclobutylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-cyclopropylpyridine-2-carboxylate
CID 172589241
tert-butyl N-[(6-bromopyridazin-3-yl)methyl]-N-(cyclopropylmethyl)carbamate
CID 163382772
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-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate?
The IUPAC name of tert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate (CID 155167927) is tert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate?
The canonical SMILES for tert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate is CC(C)(C)OC(=O)N(Cc1ccc2nc(CCl)cn2c1)CC1CCC1.
What is the InChIKey of tert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate?
The InChIKey is JJYBXDCXTOUBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-19(2,3)25-18(24)23(10-14-5-4-6-14)12-15-7-8-17-21-16(9-20)13-22(17)11-15/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3.
What are the key properties of tert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate?
tert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate has a molecular weight of 363.89 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate is sourced from PubChem (CID 155167927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).