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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Related Compounds

4-[[1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzohydrazide
CID 25001911
4-[[1-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N'-hydroxybenzenecarboximidamide
CID 91453622
N-[4-[[1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]-N-methylsulfonylmethanesulfonamide
CID 24998095
2-[1-[6-[4-[bis(methylsulfonyl)amino]anilino]pyrazolo[3,4-d]pyrimidin-1-yl]-2,3-dihydro-1H-inden-5-yl]benzoic acid
CID 151464199
N-[4-[[1-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]-N-methylsulfonylmethanesulfonamide
CID 24997477
1-[(1S)-1,2-dihydroacenaphthylen-1-yl]-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 24999961
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine
CID 68826736
N-(2,3-dihydroxypropyl)-N-[4-[[1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]methanesulfonamide
CID 68704485
1-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]-2-methylprop-1-en-1-ol
CID 143730565
7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
CID 44548056
N-[4-[[1-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 68706969
6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 51371057

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).