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

C14H17N3O3 — CID 155167684

IUPACtert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn2cc(C=O)ccc2n1
InChIInChI=1S/C14H17N3O3/c1-14(2,3)20-13(19)15-6-11-8-17-7-10(9-18)4-5-12(17)16-11/h4-5,7-9H,6H2,1-3H3,(H,15,19)
InChIKeyUBVKVQUUWBRQKK-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.17
Rot. Bonds3

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

tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate (PubChem CID 155167684) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
PubChem CID155167684
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nametert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn2cc(C=O)ccc2n1
InChIInChI=1S/C14H17N3O3/c1-14(2,3)20-13(19)15-6-11-8-17-7-10(9-18)4-5-12(17)16-11/h4-5,7-9H,6H2,1-3H3,(H,15,19)
InChIKeyUBVKVQUUWBRQKK-UHFFFAOYSA-N
XLogP2.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[2-(6-aminoimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate
CID 82184406
tert-butyl N-[(4-formylphenyl)methyl]carbamate;molecular hydrogen
CID 143920464
tert-butyl N-[[2-(diazenylmethyl)imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 155190382
tert-butyl N-[(7-phenylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175306900
2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130572
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
2-[(2-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130452
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate
CID 86618645
tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate
CID 166822363

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate (CID 155167684) is tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cn2cc(C=O)ccc2n1.
What is the InChIKey of tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate?
The InChIKey is UBVKVQUUWBRQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(2,3)20-13(19)15-6-11-8-17-7-10(9-18)4-5-12(17)16-11/h4-5,7-9H,6H2,1-3H3,(H,15,19).
What are the key properties of tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate?
tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate has a molecular weight of 275.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate is sourced from PubChem (CID 155167684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).