benzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate

C21H24N4O2 — CID 134788040

IUPACbenzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1nc2cccnc2n1C1CCCC1
InChIInChI=1S/C21H24N4O2/c1-15(23-21(26)27-14-16-8-3-2-4-9-16)19-24-18-12-7-13-22-20(18)25(19)17-10-5-6-11-17/h2-4,7-9,12-13,15,17H,5-6,10-11,14H2,1H3,(H,23,26)
InChIKeyQAPQDPWHGFCKNO-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.53
Rot. Bonds5

About benzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate

benzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate (PubChem CID 134788040) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is benzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
PubChem CID134788040
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Namebenzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1nc2cccnc2n1C1CCCC1
InChIInChI=1S/C21H24N4O2/c1-15(23-21(26)27-14-16-8-3-2-4-9-16)19-24-18-12-7-13-22-20(18)25(19)17-10-5-6-11-17/h2-4,7-9,12-13,15,17H,5-6,10-11,14H2,1H3,(H,23,26)
InChIKeyQAPQDPWHGFCKNO-UHFFFAOYSA-N
XLogP4.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
CID 20867282
benzyl 3-((4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate
CID 9867983
N-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
CID 10717081
2-[1-(1-Benzyloxycarbonylpiperidin-3-yl)-ethylamino]-4-[benzimidazol-1-yl]pyrimidine
CID 15550584
(S)-benzyl 1-(1H-benzo[d]imidazol-2-yl)-5-(sulfamoylamino)pentylcarbamate
CID 25217057
(S)-benzyl 1-(2-phenyl-1H-imidazol-4-yl)-5-(sulfamoylamino)pentylcarbamate
CID 44572654
4-(Benzyloxy)-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2(1H)-one
CID 89690318
1-(2-Ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-phenylmethoxypyridin-2-one
CID 89690573
4-(benzyloxy)-1-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)pyridin-2(1H)-one
CID 89690600
[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate
CID 122445546
[(1S)-1-(4-fluorophenyl)ethyl] N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]carbamate
CID 122485162
cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate
CID 134203955

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate (CID 134788040) is benzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate is CC(NC(=O)OCc1ccccc1)c1nc2cccnc2n1C1CCCC1.
What is the InChIKey of benzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The InChIKey is QAPQDPWHGFCKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(23-21(26)27-14-16-8-3-2-4-9-16)19-24-18-12-7-13-22-20(18)25(19)17-10-5-6-11-17/h2-4,7-9,12-13,15,17H,5-6,10-11,14H2,1H3,(H,23,26).
What are the key properties of benzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
benzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate has a molecular weight of 364.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate is sourced from PubChem (CID 134788040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).