1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea

C19H13BrFN5O — CID 71295802

IUPAC1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C19H13BrFN5O/c20-12-3-6-16(15(21)9-12)26-19(27)25-13-4-1-11(2-5-13)14-7-8-22-18-17(14)23-10-24-18/h1-10H,(H,22,23,24)(H2,25,26,27)
InChIKeyBFIXWNJQNWEFOC-UHFFFAOYSA-N
MW426.25 g/mol
LogP5.17
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea

1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea (PubChem CID 71295802) has the molecular formula C19H13BrFN5O and a molecular weight of 426.25 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
PubChem CID71295802
Molecular FormulaC19H13BrFN5O
Molecular Weight426.25 g/mol
Exact Mass425.03
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C19H13BrFN5O/c20-12-3-6-16(15(21)9-12)26-19(27)25-13-4-1-11(2-5-13)14-7-8-22-18-17(14)23-10-24-18/h1-10H,(H,22,23,24)(H2,25,26,27)
InChIKeyBFIXWNJQNWEFOC-UHFFFAOYSA-N
XLogP5.17
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.25
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea
CID 57398846
1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea
CID 897820
1-(4-bromo-2-fluorophenyl)-3-phenylurea
CID 897521
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(4-bromo-2-fluorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392821
N-(4-bromo-2-fluorophenyl)-2-[(6-oxo-1,7-dihydropurin-2-yl)sulfanyl]acetamide
CID 135999042
4-[(4-bromophenyl)carbamoylamino]-3-fluorobenzoic acid
CID 63190194
1-(2-fluoro-5-methylphenyl)-3-[4-[3-(hydroxymethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]urea
CID 141360769
1-[4-(4-amino-6-ethylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-3-(4-bromo-2-fluorophenyl)urea
CID 174511006
1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea
CID 17262139
1-(3-aminophenyl)-3-(4-bromo-2-fluorophenyl)urea
CID 29283371
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 11690518

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea (CID 71295802) is 1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea is O=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
The InChIKey is BFIXWNJQNWEFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN5O/c20-12-3-6-16(15(21)9-12)26-19(27)25-13-4-1-11(2-5-13)14-7-8-22-18-17(14)23-10-24-18/h1-10H,(H,22,23,24)(H2,25,26,27).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea?
1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea has a molecular weight of 426.25 g/mol, XLogP of 5.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea is sourced from PubChem (CID 71295802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).