1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C19H24N6O — CID 95882613

IUPAC1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCCC[C@@H]3CCCO3)nc(-c3ccncc3)nc21
InChIInChI=1S/C19H24N6O/c1-25-19-16(13-22-25)18(21-9-3-2-5-15-6-4-12-26-15)23-17(24-19)14-7-10-20-11-8-14/h7-8,10-11,13,15H,2-6,9,12H2,1H3,(H,21,23,24)/t15-/m1/s1
InChIKeyXXFNZCJAQOCBGS-OAHLLOKOSA-N
MW352.44 g/mol
LogP3.19
Rot. Bonds7

About 1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95882613) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95882613
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCCC[C@@H]3CCCO3)nc(-c3ccncc3)nc21
InChIInChI=1S/C19H24N6O/c1-25-19-16(13-22-25)18(21-9-3-2-5-15-6-4-12-26-15)23-17(24-19)14-7-10-20-11-8-14/h7-8,10-11,13,15H,2-6,9,12H2,1H3,(H,21,23,24)/t15-/m1/s1
InChIKeyXXFNZCJAQOCBGS-OAHLLOKOSA-N
XLogP3.19
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[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

Related Compounds

N'-(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 56891402
1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70728202
1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56892081
2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol
CID 95871772
1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56890808
4-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonic acid
CID 175315839
cyclopropyl-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
CID 95724133
1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56890252
1-methyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70760680
1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70732300
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70722090
1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56882874

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95882613) is 1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCCCC[C@@H]3CCCO3)nc(-c3ccncc3)nc21.
What is the InChIKey of 1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XXFNZCJAQOCBGS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N6O/c1-25-19-16(13-22-25)18(21-9-3-2-5-15-6-4-12-26-15)23-17(24-19)14-7-10-20-11-8-14/h7-8,10-11,13,15H,2-6,9,12H2,1H3,(H,21,23,24)/t15-/m1/s1.
What are the key properties of 1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 352.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95882613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).