4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide

C14H13ClN6O — CID 70828538

IUPAC4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide
SMILESCN(C)C(=O)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21
InChIInChI=1S/C14H13ClN6O/c1-20(2)14(22)21-13-10(12(16)17-7-18-13)11(19-21)8-3-5-9(15)6-4-8/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyRSCYZNZONBVVPG-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.26
Rot. Bonds1

About 4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide

4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide (PubChem CID 70828538) has the molecular formula C14H13ClN6O and a molecular weight of 316.75 g/mol. Its IUPAC name is 4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide
PubChem CID70828538
Molecular FormulaC14H13ClN6O
Molecular Weight316.75 g/mol
Exact Mass316.08
IUPAC Name4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide
SMILESCN(C)C(=O)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21
InChIInChI=1S/C14H13ClN6O/c1-20(2)14(22)21-13-10(12(16)17-7-18-13)11(19-21)8-3-5-9(15)6-4-8/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyRSCYZNZONBVVPG-UHFFFAOYSA-N
XLogP2.26
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide 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-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 59633585
3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866636
1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 70828560
1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide
CID 56602612
3-(4-chlorophenyl)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633694
N-[4-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-4-[cyclobutyl(methyl)amino]-N-methylbut-2-enamide
CID 78057026
(E)-N-[4-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-4-[cyclopropyl(ethyl)amino]-N-methylbut-2-enamide
CID 71263118
3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633644
(E)-1-[(3R)-3-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 71256249
N-[3-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide
CID 123572151
1-[3-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 78137211
N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetamide
CID 1471842

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide?
The IUPAC name of 4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide (CID 70828538) is 4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide.
What is the SMILES notation for 4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide?
The canonical SMILES for 4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide is CN(C)C(=O)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21.
What is the InChIKey of 4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide?
The InChIKey is RSCYZNZONBVVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O/c1-20(2)14(22)21-13-10(12(16)17-7-18-13)11(19-21)8-3-5-9(15)6-4-8/h3-7H,1-2H3,(H2,16,17,18).
What are the key properties of 4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide?
4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide is sourced from PubChem (CID 70828538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).