3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol

C31H26FN5O2 — CID 137033943

IUPAC3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol
SMILESOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cccc(OC7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C31H26FN5O2/c32-20-11-19(12-21(38)14-20)30-24-16-28(35-26(24)9-10-33-30)31-25-15-27(34-17-29(25)36-37-31)18-5-4-8-23(13-18)39-22-6-2-1-3-7-22/h4-5,8-17,22,35,38H,1-3,6-7H2,(H,36,37)
InChIKeyRFJKQIPOYQFOIQ-UHFFFAOYSA-N
MW519.58 g/mol
LogP7.39
Rot. Bonds5

About 3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol

3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol (PubChem CID 137033943) has the molecular formula C31H26FN5O2 and a molecular weight of 519.58 g/mol. Its IUPAC name is 3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol
PubChem CID137033943
Molecular FormulaC31H26FN5O2
Molecular Weight519.58 g/mol
Exact Mass519.21
IUPAC Name3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol
SMILESOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cccc(OC7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C31H26FN5O2/c32-20-11-19(12-21(38)14-20)30-24-16-28(35-26(24)9-10-33-30)31-25-15-27(34-17-29(25)36-37-31)18-5-4-8-23(13-18)39-22-6-2-1-3-7-22/h4-5,8-17,22,35,38H,1-3,6-7H2,(H,36,37)
InChIKeyRFJKQIPOYQFOIQ-UHFFFAOYSA-N
XLogP7.39
TPSA99.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.58
LogP ≤ 57.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol with MolForge

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Related Compounds

3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 11327794
3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647437
5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253513
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731838
3-[(2S)-2-amino-3-(2,3-difluorophenyl)propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731841
3-[(2S)-2-amino-3-phenylpropoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647436
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-ethenyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647440
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647442
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647443
3-(2-fluorophenyl)-5-[4-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 122196351

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol?
The IUPAC name of 3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol (CID 137033943) is 3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol.
What is the SMILES notation for 3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol?
The canonical SMILES for 3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol is Oc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cccc(OC7CCCCC7)c6)cc45)cc23)c1.
What is the InChIKey of 3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol?
The InChIKey is RFJKQIPOYQFOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5O2/c32-20-11-19(12-21(38)14-20)30-24-16-28(35-26(24)9-10-33-30)31-25-15-27(34-17-29(25)36-37-31)18-5-4-8-23(13-18)39-22-6-2-1-3-7-22/h4-5,8-17,22,35,38H,1-3,6-7H2,(H,36,37).
What are the key properties of 3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol?
3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol has a molecular weight of 519.58 g/mol, XLogP of 7.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(3-cyclohexyloxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol is sourced from PubChem (CID 137033943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).