3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine

C25H20ClN3O — CID 10024766

IUPAC3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(C2=Nc3n[nH]c(-c4ccc(Cl)cc4)c3C(c3ccccc3)C2)cc1
InChIInChI=1S/C25H20ClN3O/c1-30-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)23-24(28-29-25(23)27-22)18-7-11-19(26)12-8-18/h2-14,21H,15H2,1H3,(H,28,29)
InChIKeyUKKJOLGXYXLZPF-UHFFFAOYSA-N
MW413.91 g/mol
LogP6.40
Rot. Bonds4

About 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine

3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine (PubChem CID 10024766) has the molecular formula C25H20ClN3O and a molecular weight of 413.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine
PubChem CID10024766
Molecular FormulaC25H20ClN3O
Molecular Weight413.91 g/mol
Exact Mass413.13
IUPAC Name3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(C2=Nc3n[nH]c(-c4ccc(Cl)cc4)c3C(c3ccccc3)C2)cc1
InChIInChI=1S/C25H20ClN3O/c1-30-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)23-24(28-29-25(23)27-22)18-7-11-19(26)12-8-18/h2-14,21H,15H2,1H3,(H,28,29)
InChIKeyUKKJOLGXYXLZPF-UHFFFAOYSA-N
XLogP6.40
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

(4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136915567
(2S)-4-(4-methoxyphenyl)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 754108
3-(4-chlorophenyl)-4-(4-ethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135620687
(4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306091
(4S)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 7464452
3-[3-(4-methoxyphenyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]benzoic acid
CID 169416965
(4R)-4-(3-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306089
3,4-bis(4-chlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621383
5-benzyl-3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857444
3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169418224
(4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306126
1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone
CID 2967936

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine (CID 10024766) is 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine is COc1ccc(C2=Nc3n[nH]c(-c4ccc(Cl)cc4)c3C(c3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is UKKJOLGXYXLZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O/c1-30-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)23-24(28-29-25(23)27-22)18-7-11-19(26)12-8-18/h2-14,21H,15H2,1H3,(H,28,29).
What are the key properties of 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine?
3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 413.91 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(4-methoxyphenyl)-4-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 10024766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).