2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol

C27H30ClN5O3 — CID 10413918

IUPAC2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol
SMILESOCCN(Cc1ccccc1)c1c(Cl)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C27H30ClN5O3/c28-23-18-29-27-24(25(23)33(10-14-34)19-20-4-2-1-3-5-20)30-26(31-27)21-6-8-22(9-7-21)36-17-13-32-11-15-35-16-12-32/h1-9,18,34H,10-17,19H2,(H,29,30,31)
InChIKeyGUKINAFDJCNOKF-UHFFFAOYSA-N
MW508.02 g/mol
LogP3.99
Rot. Bonds10

About 2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol

2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol (PubChem CID 10413918) has the molecular formula C27H30ClN5O3 and a molecular weight of 508.02 g/mol. Its IUPAC name is 2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol
PubChem CID10413918
Molecular FormulaC27H30ClN5O3
Molecular Weight508.02 g/mol
Exact Mass507.20
IUPAC Name2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol
SMILESOCCN(Cc1ccccc1)c1c(Cl)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C27H30ClN5O3/c28-23-18-29-27-24(25(23)33(10-14-34)19-20-4-2-1-3-5-20)30-26(31-27)21-6-8-22(9-7-21)36-17-13-32-11-15-35-16-12-32/h1-9,18,34H,10-17,19H2,(H,29,30,31)
InChIKeyGUKINAFDJCNOKF-UHFFFAOYSA-N
XLogP3.99
TPSA86.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.02
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol?
The IUPAC name of 2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol (CID 10413918) is 2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol is OCCN(Cc1ccccc1)c1c(Cl)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12.
What is the InChIKey of 2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol?
The InChIKey is GUKINAFDJCNOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O3/c28-23-18-29-27-24(25(23)33(10-14-34)19-20-4-2-1-3-5-20)30-26(31-27)21-6-8-22(9-7-21)36-17-13-32-11-15-35-16-12-32/h1-9,18,34H,10-17,19H2,(H,29,30,31).
What are the key properties of 2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol?
2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol has a molecular weight of 508.02 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]ethanol is sourced from PubChem (CID 10413918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).