1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine

C24H19N5O — CID 154235209

IUPAC1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1ccc(-n2nc(N)c3c(-c4ccc(Oc5ccccc5)cc4)ccnc32)cc1
InChIInChI=1S/C24H19N5O/c25-17-8-10-18(11-9-17)29-24-22(23(26)28-29)21(14-15-27-24)16-6-12-20(13-7-16)30-19-4-2-1-3-5-19/h1-15H,25H2,(H2,26,28)
InChIKeyVVGKKOOEVIMEAW-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.04
Rot. Bonds4

About 1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine

1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 154235209) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine
PubChem CID154235209
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1ccc(-n2nc(N)c3c(-c4ccc(Oc5ccccc5)cc4)ccnc32)cc1
InChIInChI=1S/C24H19N5O/c25-17-8-10-18(11-9-17)29-24-22(23(26)28-29)21(14-15-27-24)16-6-12-20(13-7-16)30-19-4-2-1-3-5-19/h1-15H,25H2,(H2,26,28)
InChIKeyVVGKKOOEVIMEAW-UHFFFAOYSA-N
XLogP5.04
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine
CID 154218690
3-(4-phenoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 167362273
2-[[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]methylamino]ethanol
CID 22346955
1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine
CID 154293952
4-phenoxyaniline
CID 158390066
3-(4-phenoxyphenyl)furo[3,2-c]pyridin-4-amine
CID 21036837
2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propane-1,3-diol
CID 19597498
1-[1-(4-aminophenyl)pyrrolidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 175363779
3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538701
4-[4-[4-[2-[4-[4-(4-aminophenoxy)phenoxy]phenyl]-3-pyridinyl]phenoxy]phenoxy]aniline
CID 172739847
2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129065717
1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine
CID 154275938

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine (CID 154235209) is 1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine is Nc1ccc(-n2nc(N)c3c(-c4ccc(Oc5ccccc5)cc4)ccnc32)cc1.
What is the InChIKey of 1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is VVGKKOOEVIMEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c25-17-8-10-18(11-9-17)29-24-22(23(26)28-29)21(14-15-27-24)16-6-12-20(13-7-16)30-19-4-2-1-3-5-19/h1-15H,25H2,(H2,26,28).
What are the key properties of 1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine?
1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 393.45 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 154235209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).