3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol

C17H19N5O — CID 118026024

IUPAC3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol
SMILESNc1ncnc2c1c(CCCO)nn2C1Cc2ccccc2C1
InChIInChI=1S/C17H19N5O/c18-16-15-14(6-3-7-23)21-22(17(15)20-10-19-16)13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,10,13,23H,3,6-9H2,(H2,18,19,20)
InChIKeyBIYMMVMCQLNGRD-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.67
Rot. Bonds4

About 3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol

3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol (PubChem CID 118026024) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol
PubChem CID118026024
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol
SMILESNc1ncnc2c1c(CCCO)nn2C1Cc2ccccc2C1
InChIInChI=1S/C17H19N5O/c18-16-15-14(6-3-7-23)21-22(17(15)20-10-19-16)13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,10,13,23H,3,6-9H2,(H2,18,19,20)
InChIKeyBIYMMVMCQLNGRD-UHFFFAOYSA-N
XLogP1.67
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol
CID 58269140
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157493398
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
CID 118025676
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol
CID 118026010
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
CID 118025928
1-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluoroindol-6-ol
CID 118025582
4-(4-amino-3-ethylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol
CID 91560998
4-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexan-1-one
CID 118025751
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-3-fluoro-2-(trifluoromethyl)phenol
CID 118034601
3-amino-5-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 118025994
1-(2,3-dihydro-1H-inden-2-yl)-3-(5-fluoro-6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 118026224
1-[4-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone
CID 118025979

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol?
The IUPAC name of 3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol (CID 118026024) is 3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol is Nc1ncnc2c1c(CCCO)nn2C1Cc2ccccc2C1.
What is the InChIKey of 3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol?
The InChIKey is BIYMMVMCQLNGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-16-15-14(6-3-7-23)21-22(17(15)20-10-19-16)13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,10,13,23H,3,6-9H2,(H2,18,19,20).
What are the key properties of 3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol?
3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol has a molecular weight of 309.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]propan-1-ol is sourced from PubChem (CID 118026024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).