1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H10Cl3N5 — CID 41476368

IUPAC1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESClc1cc(Cl)cc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1
InChIInChI=1S/C17H10Cl3N5/c18-10-2-1-3-14(7-10)25-17-15(8-23-25)16(21-9-22-17)24-13-5-11(19)4-12(20)6-13/h1-9H,(H,21,22,24)
InChIKeyIBXWCZHWXSVFPX-UHFFFAOYSA-N
MW390.66 g/mol
LogP5.52
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 41476368) has the molecular formula C17H10Cl3N5 and a molecular weight of 390.66 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID41476368
Molecular FormulaC17H10Cl3N5
Molecular Weight390.66 g/mol
Exact Mass389.00
IUPAC Name1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESClc1cc(Cl)cc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1
InChIInChI=1S/C17H10Cl3N5/c18-10-2-1-3-14(7-10)25-17-15(8-23-25)16(21-9-22-17)24-13-5-11(19)4-12(20)6-13/h1-9H,(H,21,22,24)
InChIKeyIBXWCZHWXSVFPX-UHFFFAOYSA-N
XLogP5.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017215
1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017293
1-(3-chlorophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017275
1-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 17017238
methyl 3-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-2-hydroxybenzoate
CID 108778450
N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4531059
N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 17017298
N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777072
N-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
CID 108771802
N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 17017695
ethyl 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyridine-4-carboxylate
CID 108773589
4-[[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]benzamide
CID 108777718

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 41476368) is 1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Clc1cc(Cl)cc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IBXWCZHWXSVFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3N5/c18-10-2-1-3-14(7-10)25-17-15(8-23-25)16(21-9-22-17)24-13-5-11(19)4-12(20)6-13/h1-9H,(H,21,22,24).
What are the key properties of 1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 390.66 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 41476368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).