tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate

C20H22N4O3 — CID 9185284

IUPACtert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cn3ccccc3n2)cc1
InChIInChI=1S/C20H22N4O3/c1-20(2,3)27-19(26)23-15-9-7-14(8-10-15)18(25)21-12-16-13-24-11-5-4-6-17(24)22-16/h4-11,13H,12H2,1-3H3,(H,21,25)(H,23,26)
InChIKeyLTASAIGLFAWRDG-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.61
Rot. Bonds4

About tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate

tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate (PubChem CID 9185284) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate
PubChem CID9185284
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Nametert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cn3ccccc3n2)cc1
InChIInChI=1S/C20H22N4O3/c1-20(2,3)27-19(26)23-15-9-7-14(8-10-15)18(25)21-12-16-13-24-11-5-4-6-17(24)22-16/h4-11,13H,12H2,1-3H3,(H,21,25)(H,23,26)
InChIKeyLTASAIGLFAWRDG-UHFFFAOYSA-N
XLogP3.61
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]carbamate
CID 9474241
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917080
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9185148
N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134046116
4-(3,5-dimethylpyrazol-1-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 35991337
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917100
butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate
CID 78815706
3-(difluoromethoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzamide
CID 47040736
methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate
CID 75519312

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate (CID 9185284) is tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cn3ccccc3n2)cc1.
What is the InChIKey of tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate?
The InChIKey is LTASAIGLFAWRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-20(2,3)27-19(26)23-15-9-7-14(8-10-15)18(25)21-12-16-13-24-11-5-4-6-17(24)22-16/h4-11,13H,12H2,1-3H3,(H,21,25)(H,23,26).
What are the key properties of tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate?
tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate has a molecular weight of 366.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 9185284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).