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

C24H23N7O2 — CID 175023937

IUPAC1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
SMILESC=CCn1c(=O)c2cnc(Nc3ccc4c[nH]cc4c3)nc2n1-c1cccc(C(C)(C)O)n1
InChIInChI=1S/C24H23N7O2/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,1,10H2,2-3H3,(H,26,27,29)
InChIKeyPUXKYRZOXFLMAB-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.62
Rot. Bonds6

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

1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 175023937) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
PubChem CID175023937
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
SMILESC=CCn1c(=O)c2cnc(Nc3ccc4c[nH]cc4c3)nc2n1-c1cccc(C(C)(C)O)n1
InChIInChI=1S/C24H23N7O2/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,1,10H2,2-3H3,(H,26,27,29)
InChIKeyPUXKYRZOXFLMAB-UHFFFAOYSA-N
XLogP3.62
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

6-[3-(dimethylamino)anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
CID 153338790
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
1-tert-butyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]isoindole-2-carboxylic acid
CID 137464076
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
CID 175029269
7-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one
CID 137464050
1-tert-butyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-1,3-dihydroisoindole-2-carboxylic acid
CID 137464079
2-(dimethylamino)-N-[5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetamide
CID 146604990
hydron;6-[[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;chloride
CID 146566008
6-[4-(1,4-dimethylpiperidin-4-yl)anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
CID 171353422
N-hydroxy-4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenoxy]butanamide
CID 175522548
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
CID 170043494
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;sulfuric acid
CID 25064695

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one (CID 175023937) is 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one is C=CCn1c(=O)c2cnc(Nc3ccc4c[nH]cc4c3)nc2n1-c1cccc(C(C)(C)O)n1.
What is the InChIKey of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is PUXKYRZOXFLMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/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,1,10H2,2-3H3,(H,26,27,29).
What are the key properties of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 441.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-(2H-isoindol-5-ylamino)-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 175023937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).