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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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).