4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol

C20H19N5O2 — CID 133287820

IUPAC4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
SMILESCOc1ccc(O)c(C(C)Nc2ncnc3c2cnn3-c2ccccc2)c1
InChIInChI=1S/C20H19N5O2/c1-13(16-10-15(27-2)8-9-18(16)26)24-19-17-11-23-25(20(17)22-12-21-19)14-6-4-3-5-7-14/h3-13,26H,1-2H3,(H,21,22,24)
InChIKeyQVJYTNWWBUVPRF-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.70
Rot. Bonds5

About 4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol

4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 133287820) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
PubChem CID133287820
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
SMILESCOc1ccc(O)c(C(C)Nc2ncnc3c2cnn3-c2ccccc2)c1
InChIInChI=1S/C20H19N5O2/c1-13(16-10-15(27-2)8-9-18(16)26)24-19-17-11-23-25(20(17)22-12-21-19)14-6-4-3-5-7-14/h3-13,26H,1-2H3,(H,21,22,24)
InChIKeyQVJYTNWWBUVPRF-UHFFFAOYSA-N
XLogP3.70
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689
4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol
CID 59447546
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 57196440
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 17401866
(1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 41077002
1-(4-methoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069951
(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866509
3-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83179391
(2R)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866510
(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid
CID 122050233
3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 3569216
N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 875439

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol (CID 133287820) is 4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol is COc1ccc(O)c(C(C)Nc2ncnc3c2cnn3-c2ccccc2)c1.
What is the InChIKey of 4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is QVJYTNWWBUVPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13(16-10-15(27-2)8-9-18(16)26)24-19-17-11-23-25(20(17)22-12-21-19)14-6-4-3-5-7-14/h3-13,26H,1-2H3,(H,21,22,24).
What are the key properties of 4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol?
4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 361.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 133287820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).