N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine

C20H19ClFN7 — CID 44519860

IUPACN-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCN(C)CCc1cc(Nc2[nH]nc3ncc(F)cc23)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C20H19ClFN7/c1-29(2)8-7-13-10-17(25-19(24-13)14-5-3-4-6-16(14)21)26-20-15-9-12(22)11-23-18(15)27-28-20/h3-6,9-11H,7-8H2,1-2H3,(H2,23,24,25,26,27,28)
InChIKeyOTTBOKJLLMAYDY-UHFFFAOYSA-N
MW411.87 g/mol
LogP4.06
Rot. Bonds6

About N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine

N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 44519860) has the molecular formula C20H19ClFN7 and a molecular weight of 411.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID44519860
Molecular FormulaC20H19ClFN7
Molecular Weight411.87 g/mol
Exact Mass411.14
IUPAC NameN-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCN(C)CCc1cc(Nc2[nH]nc3ncc(F)cc23)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C20H19ClFN7/c1-29(2)8-7-13-10-17(25-19(24-13)14-5-3-4-6-16(14)21)26-20-15-9-12(22)11-23-18(15)27-28-20/h3-6,9-11H,7-8H2,1-2H3,(H2,23,24,25,26,27,28)
InChIKeyOTTBOKJLLMAYDY-UHFFFAOYSA-N
XLogP4.06
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 44519860) is N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine is CN(C)CCc1cc(Nc2[nH]nc3ncc(F)cc23)nc(-c2ccccc2Cl)n1.
What is the InChIKey of N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is OTTBOKJLLMAYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN7/c1-29(2)8-7-13-10-17(25-19(24-13)14-5-3-4-6-16(14)21)26-20-15-9-12(22)11-23-18(15)27-28-20/h3-6,9-11H,7-8H2,1-2H3,(H2,23,24,25,26,27,28).
What are the key properties of N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 411.87 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 44519860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).