6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride

C24H26ClN7O2 — CID 146565998

About 6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride

6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride (PubChem CID 146565998) has the molecular formula C24H26ClN7O2 and a molecular weight of 479.97 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride.

Molecular Properties

• Compound Name: 6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride
• PubChem CID: 146565998
• Molecular Formula: C24H26ClN7O2
• Molecular Weight: 479.97 g/mol
• Exact Mass: 479.18
• IUPAC Name: 6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride
• SMILES: C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNC4)nc2n1-c1cccc(C(C)(C)O)n1.[Cl-].[H+]
• InChI: InChI=1S/C24H25N7O2.ClH/c1-4-10-30-22(32)18-14-26-23(27-17-9-8-15-12-25-13-16(15)11-17)29-21(18)31(30)20-7-5-6-19(28-20)24(2,3)33;/h4-9,11,14,25,33H,1,10,12-13H2,2-3H3,(H,26,27,29);1H
• InChIKey: JPPOFNKZOUKPQD-UHFFFAOYSA-N
• XLogP: -0.15
• TPSA: 109.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.97
LogP ≤ 5	-0.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride?

The IUPAC name of 6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride (CID 146565998) is 6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride.

What is the SMILES notation for 6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride?

The canonical SMILES for 6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride is C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNC4)nc2n1-c1cccc(C(C)(C)O)n1.[Cl-].[H+].

What is the InChIKey of 6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride?

The InChIKey is JPPOFNKZOUKPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2.ClH/c1-4-10-30-22(32)18-14-26-23(27-17-9-8-15-12-25-13-16(15)11-17)29-21(18)31(30)20-7-5-6-19(28-20)24(2,3)33;/h4-9,11,14,25,33H,1,10,12-13H2,2-3H3,(H,26,27,29);1H.

What are the key properties of 6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride?

6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride has a molecular weight of 479.97 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-dihydro-1H-isoindol-5-ylamino)-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydron;chloride is sourced from PubChem (CID 146565998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).