1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea

C25H19ClFN7O2 — CID 66729364

IUPAC1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
SMILESCc1cn(-c2cc(Cl)cc(NC(=O)Nc3ccc(Oc4ccnc(-c5cn[nH]c5)c4)cc3F)c2)cn1
InChIInChI=1S/C25H19ClFN7O2/c1-15-13-34(14-29-15)19-7-17(26)6-18(8-19)32-25(35)33-23-3-2-20(9-22(23)27)36-21-4-5-28-24(10-21)16-11-30-31-12-16/h2-14H,1H3,(H,30,31)(H2,32,33,35)
InChIKeyHEVWEEFJONPDBI-UHFFFAOYSA-N
MW503.93 g/mol
LogP6.19
Rot. Bonds6

About 1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea

1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea (PubChem CID 66729364) has the molecular formula C25H19ClFN7O2 and a molecular weight of 503.93 g/mol. Its IUPAC name is 1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea.

Molecular Properties

Compound Name1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
PubChem CID66729364
Molecular FormulaC25H19ClFN7O2
Molecular Weight503.93 g/mol
Exact Mass503.13
IUPAC Name1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
SMILESCc1cn(-c2cc(Cl)cc(NC(=O)Nc3ccc(Oc4ccnc(-c5cn[nH]c5)c4)cc3F)c2)cn1
InChIInChI=1S/C25H19ClFN7O2/c1-15-13-34(14-29-15)19-7-17(26)6-18(8-19)32-25(35)33-23-3-2-20(9-22(23)27)36-21-4-5-28-24(10-21)16-11-30-31-12-16/h2-14H,1H3,(H,30,31)(H2,32,33,35)
InChIKeyHEVWEEFJONPDBI-UHFFFAOYSA-N
XLogP6.19
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.93
LogP ≤ 56.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]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-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea
CID 66729335
1-(3-chloro-5-pyrrolidin-1-ylphenyl)-3-[2-fluoro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 66729405
1-[3-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea
CID 66729025
1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-5-morpholin-4-ylphenyl)urea
CID 66729397
1-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 69294666
1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylpiperazin-1-yl)phenyl]urea
CID 66729329
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 71467834
1-(3-chloro-5-morpholin-4-ylphenyl)-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 66729164
1-[2-fluoro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylpiperazin-1-yl)phenyl]urea
CID 66728991
1-[3-(3-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-3-[4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 69297749
1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-5-[[6-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]urea
CID 66729363
1-[1-tert-butyl-3-(3-cyanophenyl)pyrazol-4-yl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 69297731

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea?
The IUPAC name of 1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea (CID 66729364) is 1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea.
What is the SMILES notation for 1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea?
The canonical SMILES for 1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea is Cc1cn(-c2cc(Cl)cc(NC(=O)Nc3ccc(Oc4ccnc(-c5cn[nH]c5)c4)cc3F)c2)cn1.
What is the InChIKey of 1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea?
The InChIKey is HEVWEEFJONPDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN7O2/c1-15-13-34(14-29-15)19-7-17(26)6-18(8-19)32-25(35)33-23-3-2-20(9-22(23)27)36-21-4-5-28-24(10-21)16-11-30-31-12-16/h2-14H,1H3,(H,30,31)(H2,32,33,35).
What are the key properties of 1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea?
1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea has a molecular weight of 503.93 g/mol, XLogP of 6.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea is sourced from PubChem (CID 66729364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).