5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine

C32H28FN5O — CID 137284154

IUPAC5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(F)cc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C32H28FN5O/c1-19-10-20(12-23(33)11-19)26-8-5-9-29-27(26)15-30(36-29)31-28-14-22(17-35-32(28)38-37-31)21-13-25(18-34-16-21)39-24-6-3-2-4-7-24/h5,8-18,24,36H,2-4,6-7H2,1H3,(H,35,37,38)
InChIKeyJVJCKPVRFSTUAD-UHFFFAOYSA-N
MW517.61 g/mol
LogP7.99
Rot. Bonds5

About 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137284154) has the molecular formula C32H28FN5O and a molecular weight of 517.61 g/mol. Its IUPAC name is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID137284154
Molecular FormulaC32H28FN5O
Molecular Weight517.61 g/mol
Exact Mass517.23
IUPAC Name5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(F)cc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C32H28FN5O/c1-19-10-20(12-23(33)11-19)26-8-5-9-29-27(26)15-30(36-29)31-28-14-22(17-35-32(28)38-37-31)21-13-25(18-34-16-21)39-24-6-3-2-4-7-24/h5,8-18,24,36H,2-4,6-7H2,1H3,(H,35,37,38)
InChIKeyJVJCKPVRFSTUAD-UHFFFAOYSA-N
XLogP7.99
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.61
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137145274
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137040966
5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041330
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137312030
2-[3-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137102768
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 137280821
5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137040090
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137284122
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137102838
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 138603911
5-(2,3-dimethylimidazol-4-yl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137284149
N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137280715

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 137284154) is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine is Cc1cc(F)cc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)c1.
What is the InChIKey of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is JVJCKPVRFSTUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN5O/c1-19-10-20(12-23(33)11-19)26-8-5-9-29-27(26)15-30(36-29)31-28-14-22(17-35-32(28)38-37-31)21-13-25(18-34-16-21)39-24-6-3-2-4-7-24/h5,8-18,24,36H,2-4,6-7H2,1H3,(H,35,37,38).
What are the key properties of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 517.61 g/mol, XLogP of 7.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137284154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).