5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine

C25H19ClFN5O — CID 57393418

IUPAC5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
SMILESC=C(c1ccc(F)cc1)n1cc(Cl)cc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc1-2
InChIInChI=1S/C25H19ClFN5O/c1-15-12-31(14-28-15)22-9-6-18(10-23(22)33-3)24-21-11-19(26)13-32(25(21)30-29-24)16(2)17-4-7-20(27)8-5-17/h4-14H,2H2,1,3H3
InChIKeyQGHWWVCCZCXWMS-UHFFFAOYSA-N
MW459.91 g/mol
LogP5.86
Rot. Bonds5

About 5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine

5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine (PubChem CID 57393418) has the molecular formula C25H19ClFN5O and a molecular weight of 459.91 g/mol. Its IUPAC name is 5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
PubChem CID57393418
Molecular FormulaC25H19ClFN5O
Molecular Weight459.91 g/mol
Exact Mass459.13
IUPAC Name5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
SMILESC=C(c1ccc(F)cc1)n1cc(Cl)cc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc1-2
InChIInChI=1S/C25H19ClFN5O/c1-15-12-31(14-28-15)22-9-6-18(10-23(22)33-3)24-21-11-19(26)13-32(25(21)30-29-24)16(2)17-4-7-20(27)8-5-17/h4-14H,2H2,1,3H3
InChIKeyQGHWWVCCZCXWMS-UHFFFAOYSA-N
XLogP5.86
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.91
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
CID 118732961
1-{4-[1-(3-Chlorophenyl)pyrazolo[4,5-e]pyrimidin-4-yl]piperazinyl}-2-methoxybe nzene
CID 16033917
7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406869
3-(3-chlorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406948
3-(2-chlorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406950
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine
CID 24852452
7-[1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 42611233
6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyridazin-3-amine
CID 42632633
N-[(1S)-1-(3-fluorophenyl)ethyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
CID 42632635
N-[(1S)-1-(2-fluorophenyl)ethyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
CID 42632637
N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-methylpyridazin-3-amine
CID 42632653
6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(1R)-2-methoxy-1-phenylethyl]pyridazin-3-amine
CID 42632682

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine (CID 57393418) is 5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine is C=C(c1ccc(F)cc1)n1cc(Cl)cc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc1-2.
What is the InChIKey of 5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The InChIKey is QGHWWVCCZCXWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O/c1-15-12-31(14-28-15)22-9-6-18(10-23(22)33-3)24-21-11-19(26)13-32(25(21)30-29-24)16(2)17-4-7-20(27)8-5-17/h4-14H,2H2,1,3H3.
What are the key properties of 5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine has a molecular weight of 459.91 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 57393418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).