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

C18H13ClN6O — CID 59633585

IUPAC4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide
SMILESNc1ncnc2c1c(-c1ccc(Cl)cc1)nn2C(=O)Nc1ccccc1
InChIInChI=1S/C18H13ClN6O/c19-12-8-6-11(7-9-12)15-14-16(20)21-10-22-17(14)25(24-15)18(26)23-13-4-2-1-3-5-13/h1-10H,(H,23,26)(H2,20,21,22)
InChIKeyVJPDLACCGRLMPQ-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.81
Rot. Bonds2

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

4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide (PubChem CID 59633585) has the molecular formula C18H13ClN6O and a molecular weight of 364.80 g/mol. Its IUPAC name is 4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide
PubChem CID59633585
Molecular FormulaC18H13ClN6O
Molecular Weight364.80 g/mol
Exact Mass364.08
IUPAC Name4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide
SMILESNc1ncnc2c1c(-c1ccc(Cl)cc1)nn2C(=O)Nc1ccccc1
InChIInChI=1S/C18H13ClN6O/c19-12-8-6-11(7-9-12)15-14-16(20)21-10-22-17(14)25(24-15)18(26)23-13-4-2-1-3-5-13/h1-10H,(H,23,26)(H2,20,21,22)
InChIKeyVJPDLACCGRLMPQ-UHFFFAOYSA-N
XLogP3.81
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 70828538
6-amino-N-(4-chlorophenyl)purine-9-carboxamide
CID 134094128
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
N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetamide
CID 1471842
[3-[[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]dithiolan-4-yl] benzoate
CID 150464706
3-(4-chlorophenyl)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633694
1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide
CID 56602612
2-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)-N-(iodomethyl)propanamide
CID 59465117
5-amino-N-[4-[[5-amino-3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]phenyl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 139225071
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-[4-[4-amino-1-(2-azabicyclo[2.2.1]heptan-6-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]pyridine-2-carboxamide
CID 138629362

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide?
The IUPAC name of 4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide (CID 59633585) is 4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide.
What is the SMILES notation for 4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide?
The canonical SMILES for 4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide is Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2C(=O)Nc1ccccc1.
What is the InChIKey of 4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide?
The InChIKey is VJPDLACCGRLMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O/c19-12-8-6-11(7-9-12)15-14-16(20)21-10-22-17(14)25(24-15)18(26)23-13-4-2-1-3-5-13/h1-10H,(H,23,26)(H2,20,21,22).
What are the key properties of 4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide?
4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide has a molecular weight of 364.80 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide is sourced from PubChem (CID 59633585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).