1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine

C20H17N5 — CID 141212767

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESc1ccc(Nc2ncc3cnn(C4CCc5ccccc54)c3n2)cc1
InChIInChI=1S/C20H17N5/c1-2-7-16(8-3-1)23-20-21-12-15-13-22-25(19(15)24-20)18-11-10-14-6-4-5-9-17(14)18/h1-9,12-13,18H,10-11H2,(H,21,23,24)
InChIKeyILJASNREBWTFNT-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.11
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine

1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 141212767) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID141212767
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESc1ccc(Nc2ncc3cnn(C4CCc5ccccc54)c3n2)cc1
InChIInChI=1S/C20H17N5/c1-2-7-16(8-3-1)23-20-21-12-15-13-22-25(19(15)24-20)18-11-10-14-6-4-5-9-17(14)18/h1-9,12-13,18H,10-11H2,(H,21,23,24)
InChIKeyILJASNREBWTFNT-UHFFFAOYSA-N
XLogP4.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine (CID 141212767) is 1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine is c1ccc(Nc2ncc3cnn(C4CCc5ccccc54)c3n2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is ILJASNREBWTFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-2-7-16(8-3-1)23-20-21-12-15-13-22-25(19(15)24-20)18-11-10-14-6-4-5-9-17(14)18/h1-9,12-13,18H,10-11H2,(H,21,23,24).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine?
1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 327.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 141212767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).