2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide

C16H14BrN5O2S — CID 42927301

IUPAC2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
SMILESCC(Sc1nc2ncc(Br)cc2[nH]1)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C16H14BrN5O2S/c1-9(14(23)22-15(24)19-11-5-3-2-4-6-11)25-16-20-12-7-10(17)8-18-13(12)21-16/h2-9H,1H3,(H,18,20,21)(H2,19,22,23,24)
InChIKeyFBLCRFUNALPJLL-UHFFFAOYSA-N
MW420.29 g/mol
LogP3.55
Rot. Bonds4

About 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide (PubChem CID 42927301) has the molecular formula C16H14BrN5O2S and a molecular weight of 420.29 g/mol. Its IUPAC name is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
PubChem CID42927301
Molecular FormulaC16H14BrN5O2S
Molecular Weight420.29 g/mol
Exact Mass419.01
IUPAC Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
SMILESCC(Sc1nc2ncc(Br)cc2[nH]1)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C16H14BrN5O2S/c1-9(14(23)22-15(24)19-11-5-3-2-4-6-11)25-16-20-12-7-10(17)8-18-13(12)21-16/h2-9H,1H3,(H,18,20,21)(H2,19,22,23,24)
InChIKeyFBLCRFUNALPJLL-UHFFFAOYSA-N
XLogP3.55
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.29
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-acetylphenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanamide
CID 7624291
2-(4-bromophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569774
(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 7624496
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 78656521
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 42885304
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-bromophenyl)propanamide
CID 7756095
2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylpropanamide
CID 6501404
(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-methyl-N-phenylpropanamide
CID 7624522
2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 60594345
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide
CID 7756114
2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569378
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 41024083

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide?
The IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide (CID 42927301) is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide?
The canonical SMILES for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide is CC(Sc1nc2ncc(Br)cc2[nH]1)C(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide?
The InChIKey is FBLCRFUNALPJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O2S/c1-9(14(23)22-15(24)19-11-5-3-2-4-6-11)25-16-20-12-7-10(17)8-18-13(12)21-16/h2-9H,1H3,(H,18,20,21)(H2,19,22,23,24).
What are the key properties of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide?
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide has a molecular weight of 420.29 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide is sourced from PubChem (CID 42927301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).