benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate

C21H24N4O3 — CID 71649918

IUPACbenzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC(Cn2c(CO)nc3cccnc32)C1
InChIInChI=1S/C21H24N4O3/c26-14-19-23-18-9-4-10-22-20(18)25(19)13-17-8-5-11-24(12-17)21(27)28-15-16-6-2-1-3-7-16/h1-4,6-7,9-10,17,26H,5,8,11-15H2
InChIKeyWJRBTNLJWKLXDN-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.97
Rot. Bonds5

About benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate

benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate (PubChem CID 71649918) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate
PubChem CID71649918
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Namebenzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC(Cn2c(CO)nc3cccnc32)C1
InChIInChI=1S/C21H24N4O3/c26-14-19-23-18-9-4-10-22-20(18)25(19)13-17-8-5-11-24(12-17)21(27)28-15-16-6-2-1-3-7-16/h1-4,6-7,9-10,17,26H,5,8,11-15H2
InChIKeyWJRBTNLJWKLXDN-UHFFFAOYSA-N
XLogP2.97
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (3R)-3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate
CID 97166677
benzyl 3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 71649890
benzyl (3R)-3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 97169469
tert-butyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate
CID 71630129
benzyl 2-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate
CID 71646548
benzyl (3R)-3-(2-acetylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 97170825
benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675
tert-butyl (3R)-3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 97172222
(1-phenylmethoxycarbonylpiperidin-3-yl)methanesulfonic acid
CID 54551842
benzyl (3R)-3-(3-chloropropyl)piperidine-1-carboxylate
CID 97166701
benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
CID 177327268
benzyl (3S)-3-(acetyloxymethyl)piperidine-1-carboxylate
CID 10589659

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate (CID 71649918) is benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC(Cn2c(CO)nc3cccnc32)C1.
What is the InChIKey of benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate?
The InChIKey is WJRBTNLJWKLXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-14-19-23-18-9-4-10-22-20(18)25(19)13-17-8-5-11-24(12-17)21(27)28-15-16-6-2-1-3-7-16/h1-4,6-7,9-10,17,26H,5,8,11-15H2.
What are the key properties of benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate?
benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate has a molecular weight of 380.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[[2-(hydroxymethyl)imidazo[4,5-b]pyridin-3-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 71649918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).