4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide

C23H24N8O — CID 145011044

IUPAC4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide
SMILESCNc1ncnc2c1c(-c1ccc(C(=O)Nc3ccccn3)cc1)nn2C1CCN(C)C1
InChIInChI=1S/C23H24N8O/c1-24-21-19-20(29-31(22(19)27-14-26-21)17-10-12-30(2)13-17)15-6-8-16(9-7-15)23(32)28-18-5-3-4-11-25-18/h3-9,11,14,17H,10,12-13H2,1-2H3,(H,24,26,27)(H,25,28,32)
InChIKeyISZUTEUARDKJCL-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.06
Rot. Bonds5

About 4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide

4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide (PubChem CID 145011044) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide
PubChem CID145011044
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide
SMILESCNc1ncnc2c1c(-c1ccc(C(=O)Nc3ccccn3)cc1)nn2C1CCN(C)C1
InChIInChI=1S/C23H24N8O/c1-24-21-19-20(29-31(22(19)27-14-26-21)17-10-12-30(2)13-17)15-6-8-16(9-7-15)23(32)28-18-5-3-4-11-25-18/h3-9,11,14,17H,10,12-13H2,1-2H3,(H,24,26,27)(H,25,28,32)
InChIKeyISZUTEUARDKJCL-UHFFFAOYSA-N
XLogP3.06
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide 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

4-methoxybut-2-ynal;4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide
CID 145011043
4-[4-amino-1-[(3R)-1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide
CID 118692432
4-[4-amino-1-(1-prop-2-enoylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide
CID 118696689
4-[4-amino-1-[1-[4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide
CID 142732213
4-[4-amino-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide;4-[4-amino-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-(1,3-thiazol-2-yl)benzamide
CID 159978615
tert-butyl 6-[4-amino-3-[4-(pyridin-2-ylcarbamoyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 138660519
4-[4-amino-1-[(3R)-1-(4-methoxybut-2-ynoyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide;4-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide;4-methoxybut-2-ynoic acid
CID 158977884
3-(4-methylphenyl)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 145124778
4-[4-amino-1-[1-(2-methylprop-2-enoyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 118692369
4-[4-amino-1-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71222862
4-[4-amino-1-[(1S,4R,6S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-6-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide
CID 142741834
4-[4-amino-1-(2-azabicyclo[2.2.1]heptan-6-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide;hydrochloride
CID 138629394

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide (CID 145011044) is 4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide is CNc1ncnc2c1c(-c1ccc(C(=O)Nc3ccccn3)cc1)nn2C1CCN(C)C1.
What is the InChIKey of 4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide?
The InChIKey is ISZUTEUARDKJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c1-24-21-19-20(29-31(22(19)27-14-26-21)17-10-12-30(2)13-17)15-6-8-16(9-7-15)23(32)28-18-5-3-4-11-25-18/h3-9,11,14,17H,10,12-13H2,1-2H3,(H,24,26,27)(H,25,28,32).
What are the key properties of 4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide?
4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 428.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 145011044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).