tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate

C26H34N4O2 — CID 18619647

IUPACtert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(-n2c(CCC3CCCC3)nc3cccnc32)cc1
InChIInChI=1S/C26H34N4O2/c1-26(2,3)32-25(31)28-18-16-20-10-13-21(14-11-20)30-23(15-12-19-7-4-5-8-19)29-22-9-6-17-27-24(22)30/h6,9-11,13-14,17,19H,4-5,7-8,12,15-16,18H2,1-3H3,(H,28,31)
InChIKeyLFDQWBMAIFLINR-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.61
Rot. Bonds7

About tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate

tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate (PubChem CID 18619647) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate
PubChem CID18619647
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Nametert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(-n2c(CCC3CCCC3)nc3cccnc32)cc1
InChIInChI=1S/C26H34N4O2/c1-26(2,3)32-25(31)28-18-16-20-10-13-21(14-11-20)30-23(15-12-19-7-4-5-8-19)29-22-9-6-17-27-24(22)30/h6,9-11,13-14,17,19H,4-5,7-8,12,15-16,18H2,1-3H3,(H,28,31)
InChIKeyLFDQWBMAIFLINR-UHFFFAOYSA-N
XLogP5.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]carbamate
CID 72722591
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tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
CID 21027861
2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
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N-cycloheptyl-3-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]propanamide
CID 20916237
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[2-[4-[[1-(cyclopentylmethylcarbamoyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate
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2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide
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tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate
CID 23562613
3-(3-phenylimidazo[4,5-b]pyridin-2-yl)-1-piperidin-1-ylpropan-1-one
CID 6622705
N-(oxolan-2-ylmethyl)-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 6625066

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate (CID 18619647) is tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccc(-n2c(CCC3CCCC3)nc3cccnc32)cc1.
What is the InChIKey of tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate?
The InChIKey is LFDQWBMAIFLINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-26(2,3)32-25(31)28-18-16-20-10-13-21(14-11-20)30-23(15-12-19-7-4-5-8-19)29-22-9-6-17-27-24(22)30/h6,9-11,13-14,17,19H,4-5,7-8,12,15-16,18H2,1-3H3,(H,28,31).
What are the key properties of tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate?
tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate has a molecular weight of 434.58 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate is sourced from PubChem (CID 18619647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).