4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile

C19H13BrN4O — CID 51717199

IUPAC4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
SMILESN#Cc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2Br)cc1
InChIInChI=1S/C19H13BrN4O/c20-15-3-1-2-4-16(15)24-11-22-18-14(9-17(25)23-19(18)24)13-7-5-12(10-21)6-8-13/h1-8,11,14H,9H2,(H,23,25)/t14-/m0/s1
InChIKeyIEHSISZSMZQMNG-AWEZNQCLSA-N
MW393.24 g/mol
LogP3.98
Rot. Bonds2

About 4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile

4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile (PubChem CID 51717199) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is 4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile.

Molecular Properties

Compound Name4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
PubChem CID51717199
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC Name4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
SMILESN#Cc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2Br)cc1
InChIInChI=1S/C19H13BrN4O/c20-15-3-1-2-4-16(15)24-11-22-18-14(9-17(25)23-19(18)24)13-7-5-12(10-21)6-8-13/h1-8,11,14H,9H2,(H,23,25)/t14-/m0/s1
InChIKeyIEHSISZSMZQMNG-AWEZNQCLSA-N
XLogP3.98
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
The IUPAC name of 4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile (CID 51717199) is 4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile.
What is the SMILES notation for 4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
The canonical SMILES for 4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile is N#Cc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2Br)cc1.
What is the InChIKey of 4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
The InChIKey is IEHSISZSMZQMNG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-15-3-1-2-4-16(15)24-11-22-18-14(9-17(25)23-19(18)24)13-7-5-12(10-21)6-8-13/h1-8,11,14H,9H2,(H,23,25)/t14-/m0/s1.
What are the key properties of 4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile has a molecular weight of 393.24 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7S)-3-(2-bromophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile is sourced from PubChem (CID 51717199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).