1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H16ClN5O — CID 17017293

IUPAC1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H16ClN5O/c1-2-26-16-8-6-14(7-9-16)24-18-17-11-23-25(19(17)22-12-21-18)15-5-3-4-13(20)10-15/h3-12H,2H2,1H3,(H,21,22,24)
InChIKeyJKSZLGUOXHXKNT-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.61
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 17017293) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID17017293
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H16ClN5O/c1-2-26-16-8-6-14(7-9-16)24-18-17-11-23-25(19(17)22-12-21-18)15-5-3-4-13(20)10-15/h3-12H,2H2,1H3,(H,21,22,24)
InChIKeyJKSZLGUOXHXKNT-UHFFFAOYSA-N
XLogP4.61
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476368
1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017215
N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069938
1-(3-fluorophenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434963
1-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 17017238
ethyl 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyridine-4-carboxylate
CID 108773589
1-(3-chloro-4-methylphenyl)-N-[4-(4-chlorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 41427946
1-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017510
diethyl 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108776169
1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 711559
methyl 3-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-2-hydroxybenzoate
CID 108778450

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 17017293) is 1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCOc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JKSZLGUOXHXKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-2-26-16-8-6-14(7-9-16)24-18-17-11-23-25(19(17)22-12-21-18)15-5-3-4-13(20)10-15/h3-12H,2H2,1H3,(H,21,22,24).
What are the key properties of 1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 365.82 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 17017293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).