tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate

C17H24N4O3 — CID 71630129

IUPACtert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cn2c(CO)nc3cccnc32)C1
InChIInChI=1S/C17H24N4O3/c1-17(2,3)24-16(23)20-8-6-12(9-20)10-21-14(11-22)19-13-5-4-7-18-15(13)21/h4-5,7,12,22H,6,8-11H2,1-3H3
InChIKeyFACHWTCDGSOBQU-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.18
Rot. Bonds3

About tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate

tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 71630129) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID71630129
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nametert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cn2c(CO)nc3cccnc32)C1
InChIInChI=1S/C17H24N4O3/c1-17(2,3)24-16(23)20-8-6-12(9-20)10-21-14(11-22)19-13-5-4-7-18-15(13)21/h4-5,7,12,22H,6,8-11H2,1-3H3
InChIKeyFACHWTCDGSOBQU-UHFFFAOYSA-N
XLogP2.18
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3S)-3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 97171142
tert-butyl (3R)-3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 97172222
benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate
CID 71649918
benzyl (3R)-3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate
CID 97166677
tert-butyl (3S)-3-[[2-(chloromethyl)benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 86619793
tert-butyl (3R)-3-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97351178
2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]benzimidazole-5-carboxylic acid
CID 146346140
tert-butyl (3R)-3-(pyrimidin-2-ylsulfanylmethyl)pyrrolidine-1-carboxylate
CID 97031953
methyl 2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]benzimidazole-5-carboxylate
CID 175121707
tert-butyl 3-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 69247568
tert-butyl 3-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71630298
tert-butyl (3S)-3-[[(3-fluoro-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate (CID 71630129) is tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cn2c(CO)nc3cccnc32)C1.
What is the InChIKey of tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is FACHWTCDGSOBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17(2,3)24-16(23)20-8-6-12(9-20)10-21-14(11-22)19-13-5-4-7-18-15(13)21/h4-5,7,12,22H,6,8-11H2,1-3H3.
What are the key properties of tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71630129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).