3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride

C14H14ClN5 — CID 118024866

IUPAC3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1ncnc2n[nH]c(C3Cc4ccccc4C3)c12
InChIInChI=1S/C14H13N5.ClH/c15-13-11-12(18-19-14(11)17-7-16-13)10-5-8-3-1-2-4-9(8)6-10;/h1-4,7,10H,5-6H2,(H3,15,16,17,18,19);1H
InChIKeyAPNJTZOZMRMTCG-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.24
Rot. Bonds1

About 3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride

3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride (PubChem CID 118024866) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
PubChem CID118024866
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1ncnc2n[nH]c(C3Cc4ccccc4C3)c12
InChIInChI=1S/C14H13N5.ClH/c15-13-11-12(18-19-14(11)17-7-16-13)10-5-8-3-1-2-4-9(8)6-10;/h1-4,7,10H,5-6H2,(H3,15,16,17,18,19);1H
InChIKeyAPNJTZOZMRMTCG-UHFFFAOYSA-N
XLogP2.24
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride with MolForge

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Related Compounds

3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 122381068
3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 55271281
3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53234528
3-nitro-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 137086508
3-prop-1-ynyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 22145336
3-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118024598
5-[4-amino-6-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol
CID 118024809
3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 122381066
3-(2-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 130454662
4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol
CID 171881496
3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905255
4-(2,3-dihydro-1H-inden-2-yl)pyrimidine
CID 57016788

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride (CID 118024866) is 3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride is Cl.Nc1ncnc2n[nH]c(C3Cc4ccccc4C3)c12.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is APNJTZOZMRMTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5.ClH/c15-13-11-12(18-19-14(11)17-7-16-13)10-5-8-3-1-2-4-9(8)6-10;/h1-4,7,10H,5-6H2,(H3,15,16,17,18,19);1H.
What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 118024866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).