N-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine

C24H26ClFN8 — CID 44519685

IUPACN-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCN1CCN(CCc2cc(Nc3[nH]nc4ncc(F)cc34)nc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C24H26ClFN8/c1-2-33-9-11-34(12-10-33)8-7-17-14-21(29-23(28-17)18-5-3-4-6-20(18)25)30-24-19-13-16(26)15-27-22(19)31-32-24/h3-6,13-15H,2,7-12H2,1H3,(H2,27,28,29,30,31,32)
InChIKeyOUGUHVNDDKXOPR-UHFFFAOYSA-N
MW480.98 g/mol
LogP4.13
Rot. Bonds7

About N-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine

N-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 44519685) has the molecular formula C24H26ClFN8 and a molecular weight of 480.98 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID44519685
Molecular FormulaC24H26ClFN8
Molecular Weight480.98 g/mol
Exact Mass480.20
IUPAC NameN-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCN1CCN(CCc2cc(Nc3[nH]nc4ncc(F)cc34)nc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C24H26ClFN8/c1-2-33-9-11-34(12-10-33)8-7-17-14-21(29-23(28-17)18-5-3-4-6-20(18)25)30-24-19-13-16(26)15-27-22(19)31-32-24/h3-6,13-15H,2,7-12H2,1H3,(H2,27,28,29,30,31,32)
InChIKeyOUGUHVNDDKXOPR-UHFFFAOYSA-N
XLogP4.13
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)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-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 44519685) is N-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)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-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine is CCN1CCN(CCc2cc(Nc3[nH]nc4ncc(F)cc34)nc(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is OUGUHVNDDKXOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN8/c1-2-33-9-11-34(12-10-33)8-7-17-14-21(29-23(28-17)18-5-3-4-6-20(18)25)30-24-19-13-16(26)15-27-22(19)31-32-24/h3-6,13-15H,2,7-12H2,1H3,(H2,27,28,29,30,31,32).
What are the key properties of N-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
N-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 480.98 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 44519685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).