1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide

C25H18BrF2N5O3 — CID 175690299

IUPAC1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccc(F)cc2Br)c(-c2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)n1
InChIInChI=1S/C25H18BrF2N5O3/c26-17-10-15(27)4-5-20(17)33-12-19(23(29)34)31-24(33)14-3-6-21(18(28)9-14)36-16-7-8-30-22(11-16)32-25(35)13-1-2-13/h3-13H,1-2H2,(H2,29,34)(H,30,32,35)
InChIKeyLEGWUTMMPWBYPE-UHFFFAOYSA-N
MW554.35 g/mol
LogP5.21
Rot. Bonds7

About 1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide

1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide (PubChem CID 175690299) has the molecular formula C25H18BrF2N5O3 and a molecular weight of 554.35 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide
PubChem CID175690299
Molecular FormulaC25H18BrF2N5O3
Molecular Weight554.35 g/mol
Exact Mass553.06
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccc(F)cc2Br)c(-c2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)n1
InChIInChI=1S/C25H18BrF2N5O3/c26-17-10-15(27)4-5-20(17)33-12-19(23(29)34)31-24(33)14-3-6-21(18(28)9-14)36-16-7-8-30-22(11-16)32-25(35)13-1-2-13/h3-13H,1-2H2,(H2,29,34)(H,30,32,35)
InChIKeyLEGWUTMMPWBYPE-UHFFFAOYSA-N
XLogP5.21
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.35
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-bromophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 175690442
1-N'-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 54576299
N-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233803
N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide
CID 118231309
N-[4-(2-bromo-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]cyclopropanecarboxamide
CID 169032827
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162664657
N-[4-[2-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233904
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 175471955
N-[4-[2-fluoro-4-[4-oxo-7-[2-(trifluoromethyl)-4-pyridinyl]heptyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 123644141
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(2,6-dimethylphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 175690573
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162670779
N-[4-[3-fluoro-4-(methylaminomethylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 134409049

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide (CID 175690299) is 1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide is NC(=O)c1cn(-c2ccc(F)cc2Br)c(-c2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)n1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide?
The InChIKey is LEGWUTMMPWBYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrF2N5O3/c26-17-10-15(27)4-5-20(17)33-12-19(23(29)34)31-24(33)14-3-6-21(18(28)9-14)36-16-7-8-30-22(11-16)32-25(35)13-1-2-13/h3-13H,1-2H2,(H2,29,34)(H,30,32,35).
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide?
1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide has a molecular weight of 554.35 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide is sourced from PubChem (CID 175690299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).