N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

C24H24F3N7O — CID 10457988

IUPACN-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESFC(F)(F)c1ccccc1-c1nc(CCCN2CCOCC2)cc(Nc2[nH]nc3ncccc23)n1
InChIInChI=1S/C24H24F3N7O/c25-24(26,27)19-8-2-1-6-17(19)22-29-16(5-4-10-34-11-13-35-14-12-34)15-20(30-22)31-23-18-7-3-9-28-21(18)32-33-23/h1-3,6-9,15H,4-5,10-14H2,(H2,28,29,30,31,32,33)
InChIKeyNBKOZGGXGNMYOT-UHFFFAOYSA-N
MW483.50 g/mol
LogP4.44
Rot. Bonds7

About N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 10457988) has the molecular formula C24H24F3N7O and a molecular weight of 483.50 g/mol. Its IUPAC name is N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID10457988
Molecular FormulaC24H24F3N7O
Molecular Weight483.50 g/mol
Exact Mass483.20
IUPAC NameN-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESFC(F)(F)c1ccccc1-c1nc(CCCN2CCOCC2)cc(Nc2[nH]nc3ncccc23)n1
InChIInChI=1S/C24H24F3N7O/c25-24(26,27)19-8-2-1-6-17(19)22-29-16(5-4-10-34-11-13-35-14-12-34)15-20(30-22)31-23-18-7-3-9-28-21(18)32-33-23/h1-3,6-9,15H,4-5,10-14H2,(H2,28,29,30,31,32,33)
InChIKeyNBKOZGGXGNMYOT-UHFFFAOYSA-N
XLogP4.44
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-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-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 10457988) is N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is FC(F)(F)c1ccccc1-c1nc(CCCN2CCOCC2)cc(Nc2[nH]nc3ncccc23)n1.
What is the InChIKey of N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is NBKOZGGXGNMYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O/c25-24(26,27)19-8-2-1-6-17(19)22-29-16(5-4-10-34-11-13-35-14-12-34)15-20(30-22)31-23-18-7-3-9-28-21(18)32-33-23/h1-3,6-9,15H,4-5,10-14H2,(H2,28,29,30,31,32,33).
What are the key properties of N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 483.50 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 10457988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).