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

C14H19N5O2 — CID 155190382

IUPACtert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
SMILES[H]/N=N/Cc1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C14H19N5O2/c1-14(2,3)21-13(20)16-6-10-4-5-12-18-11(7-17-15)9-19(12)8-10/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,20)/b17-15+
InChIKeySFWRTVLHWPXQLP-BMRADRMJSA-N
MW289.34 g/mol
LogP2.89
Rot. Bonds4

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

tert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate (PubChem CID 155190382) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is tert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
PubChem CID155190382
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Nametert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
SMILES[H]/N=N/Cc1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C14H19N5O2/c1-14(2,3)21-13(20)16-6-10-4-5-12-18-11(7-17-15)9-19(12)8-10/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,20)/b17-15+
InChIKeySFWRTVLHWPXQLP-BMRADRMJSA-N
XLogP2.89
TPSA91.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate
CID 155167651
tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 155167684
tert-butyl N-[2-(6-aminoimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate
CID 82184406
tert-butyl 1-[4-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidine-4-carboxylate
CID 19965383
tert-butyl N-[[4-(methylsulfinimidoyl)phenyl]methyl]carbamate
CID 170764459
tert-butyl N-[[4-(isothiocyanatomethyl)phenyl]methyl]carbamate
CID 10850230
carbamimidoyl-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]azanium;hydrochloride
CID 22141501
tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate
CID 155896192
tert-butyl N-[(7-phenylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175306900
tert-butyl N-[[4-(azidomethyl)phenyl]methyl]carbamate
CID 150442768
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate (CID 155190382) is tert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate is [H]/N=N/Cc1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1.
What is the InChIKey of tert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate?
The InChIKey is SFWRTVLHWPXQLP-BMRADRMJSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-14(2,3)21-13(20)16-6-10-4-5-12-18-11(7-17-15)9-19(12)8-10/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,20)/b17-15+.
What are the key properties of tert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate?
tert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate has a molecular weight of 289.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate is sourced from PubChem (CID 155190382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).