[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate

C17H23N3O3 — CID 170774692

IUPAC[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1cn2cc(C3CC3)cc(CO)c2n1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)19-16(22)23-10-14-8-20-7-12(11-4-5-11)6-13(9-21)15(20)18-14/h6-8,11,21H,4-5,9-10H2,1-3H3,(H,19,22)
InChIKeyDXZQMMKHSBJZDD-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.73
Rot. Bonds4

About [6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate

[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate (PubChem CID 170774692) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is [6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate
PubChem CID170774692
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1cn2cc(C3CC3)cc(CO)c2n1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)19-16(22)23-10-14-8-20-7-12(11-4-5-11)6-13(9-21)15(20)18-14/h6-8,11,21H,4-5,9-10H2,1-3H3,(H,19,22)
InChIKeyDXZQMMKHSBJZDD-UHFFFAOYSA-N
XLogP2.73
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate
CID 175507912
ethyl 2-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
CID 165131768
methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride
CID 165131040
ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
CID 139487362
1-(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)-N-methylmethanamine
CID 175623441
tert-butyl 2-[6-cyclopropyl-2-[[4-[hydroxy(methoxy)methyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]acetate
CID 155180133
benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
CID 153431050
4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine
CID 165131333
tert-butyl N-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]carbamate
CID 165131798
formic acid;trans-(1S,2S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 175784658
benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139487461
3-[2-[[amino-[(Z)-2-aminoprop-1-enyl]amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile
CID 156708537

Frequently Asked Questions

What is the IUPAC name of [6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate?
The IUPAC name of [6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate (CID 170774692) is [6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate?
The canonical SMILES for [6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCc1cn2cc(C3CC3)cc(CO)c2n1.
What is the InChIKey of [6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate?
The InChIKey is DXZQMMKHSBJZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)19-16(22)23-10-14-8-20-7-12(11-4-5-11)6-13(9-21)15(20)18-14/h6-8,11,21H,4-5,9-10H2,1-3H3,(H,19,22).
What are the key properties of [6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate?
[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate has a molecular weight of 317.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 170774692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).