1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea

C17H17BrFN5O — CID 90457251

IUPAC1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea
SMILESCC(C)(C)NC(=O)Nc1ccc(F)c(-c2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C17H17BrFN5O/c1-17(2,3)24-16(25)21-10-4-5-12(19)11(7-10)14-22-13-6-9(18)8-20-15(13)23-14/h4-8H,1-3H3,(H,20,22,23)(H2,21,24,25)
InChIKeyFMRZANHPIZLGOE-UHFFFAOYSA-N
MW406.26 g/mol
LogP4.45
Rot. Bonds2

About 1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea

1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea (PubChem CID 90457251) has the molecular formula C17H17BrFN5O and a molecular weight of 406.26 g/mol. Its IUPAC name is 1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea.

Molecular Properties

Compound Name1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea
PubChem CID90457251
Molecular FormulaC17H17BrFN5O
Molecular Weight406.26 g/mol
Exact Mass405.06
IUPAC Name1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea
SMILESCC(C)(C)NC(=O)Nc1ccc(F)c(-c2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C17H17BrFN5O/c1-17(2,3)24-16(25)21-10-4-5-12(19)11(7-10)14-22-13-6-9(18)8-20-15(13)23-14/h4-8H,1-3H3,(H,20,22,23)(H2,21,24,25)
InChIKeyFMRZANHPIZLGOE-UHFFFAOYSA-N
XLogP4.45
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 90403531
[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid
CID 90403447
N-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 69375665
2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-fluorophenol
CID 136789686
N-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane
CID 144717655
2-(5-bromo-2-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79796387
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872
N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 155562516
4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide
CID 90403283
1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea
CID 90403490
6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 81477184
6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine
CID 23025816

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea?
The IUPAC name of 1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea (CID 90457251) is 1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea.
What is the SMILES notation for 1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea?
The canonical SMILES for 1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea is CC(C)(C)NC(=O)Nc1ccc(F)c(-c2nc3ncc(Br)cc3[nH]2)c1.
What is the InChIKey of 1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea?
The InChIKey is FMRZANHPIZLGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN5O/c1-17(2,3)24-16(25)21-10-4-5-12(19)11(7-10)14-22-13-6-9(18)8-20-15(13)23-14/h4-8H,1-3H3,(H,20,22,23)(H2,21,24,25).
What are the key properties of 1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea?
1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea has a molecular weight of 406.26 g/mol, XLogP of 4.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea is sourced from PubChem (CID 90457251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).