3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H17FN6O — CID 165397659

IUPAC3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCn1nc(-c2ccc3c(c2F)CCN3)c2c(N)ncnc21
InChIInChI=1S/C16H17FN6O/c1-24-7-6-23-16-12(15(18)20-8-21-16)14(22-23)10-2-3-11-9(13(10)17)4-5-19-11/h2-3,8,19H,4-7H2,1H3,(H2,18,20,21)
InChIKeyPPGDVGIZAXNPCJ-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.83
Rot. Bonds4

About 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 165397659) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID165397659
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC Name3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCn1nc(-c2ccc3c(c2F)CCN3)c2c(N)ncnc21
InChIInChI=1S/C16H17FN6O/c1-24-7-6-23-16-12(15(18)20-8-21-16)14(22-23)10-2-3-11-9(13(10)17)4-5-19-11/h2-3,8,19H,4-7H2,1H3,(H2,18,20,21)
InChIKeyPPGDVGIZAXNPCJ-UHFFFAOYSA-N
XLogP1.83
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 165397659) is 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine is COCCn1nc(-c2ccc3c(c2F)CCN3)c2c(N)ncnc21.
What is the InChIKey of 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PPGDVGIZAXNPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O/c1-24-7-6-23-16-12(15(18)20-8-21-16)14(22-23)10-2-3-11-9(13(10)17)4-5-19-11/h2-3,8,19H,4-7H2,1H3,(H2,18,20,21).
What are the key properties of 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 328.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2,3-dihydro-1H-indol-5-yl)-1-(2-methoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 165397659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).