5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine

C25H20ClF2N5O — CID 58110853

IUPAC5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
SMILESCOc1cc(-c2nnc3n([C@H](C)c4cc(F)cc(F)c4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H20ClF2N5O/c1-14-11-32(13-29-14)22-5-4-16(8-23(22)34-3)24-21-9-18(26)12-33(25(21)31-30-24)15(2)17-6-19(27)10-20(28)7-17/h4-13,15H,1-3H3/t15-/m1/s1
InChIKeyPZUSUXXFOGAWHO-OAHLLOKOSA-N
MW479.92 g/mol
LogP6.09
Rot. Bonds5

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

5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine (PubChem CID 58110853) has the molecular formula C25H20ClF2N5O and a molecular weight of 479.92 g/mol. Its IUPAC name is 5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
PubChem CID58110853
Molecular FormulaC25H20ClF2N5O
Molecular Weight479.92 g/mol
Exact Mass479.13
IUPAC Name5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
SMILESCOc1cc(-c2nnc3n([C@H](C)c4cc(F)cc(F)c4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H20ClF2N5O/c1-14-11-32(13-29-14)22-5-4-16(8-23(22)34-3)24-21-9-18(26)12-33(25(21)31-30-24)15(2)17-6-19(27)10-20(28)7-17/h4-13,15H,1-3H3/t15-/m1/s1
InChIKeyPZUSUXXFOGAWHO-OAHLLOKOSA-N
XLogP6.09
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.92
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(2,4,6-trifluorophenyl)ethyl]pyrazolo[3,4-b]pyridine
CID 42634927
5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1R)-1-(3,4,5-trifluorophenyl)ethyl]pyrazolo[3,4-b]pyridine
CID 42635106
5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(3,4,5-trifluorophenyl)ethyl]pyrazolo[3,4-b]pyridine
CID 42634396
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1R)-1-(3,4,5-trifluorophenyl)ethyl]pyrazolo[3,4-b]pyridine
CID 42635283
5-chloro-7-[(1S)-1-(2,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[(1S)-1-(2-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)propyl]pyrazolo[3,4-b]pyridine
CID 159443193
3-[4-(4,5-dimethylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carbonitrile;[7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-5-yl]methanol
CID 159763157
5-chloro-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one
CID 70271783
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-[1-(3,4,5-trifluorophenyl)ethyl]pyrrolo[2,3-b]pyridine
CID 58110743
8-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 42633863
6-chloro-2-[(1S)-1-(3,5-difluorophenyl)ethyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one
CID 70271213
5-chloro-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(1S)-1-(3,4,5-trifluorophenyl)ethyl]pyridin-2-one
CID 58110805
5-chloro-1-[(1S)-1-(4-iodophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
CID 70269836

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine (CID 58110853) is 5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine is COc1cc(-c2nnc3n([C@H](C)c4cc(F)cc(F)c4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1.
What is the InChIKey of 5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The InChIKey is PZUSUXXFOGAWHO-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H20ClF2N5O/c1-14-11-32(13-29-14)22-5-4-16(8-23(22)34-3)24-21-9-18(26)12-33(25(21)31-30-24)15(2)17-6-19(27)10-20(28)7-17/h4-13,15H,1-3H3/t15-/m1/s1.
What are the key properties of 5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine has a molecular weight of 479.92 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 58110853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).