N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C27H24F2N6O — CID 127053103

IUPACN-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)CCOc1ncc(Nc2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)cc1F
InChIInChI=1S/C27H24F2N6O/c1-34(2)12-13-36-27-22(29)14-21(17-30-27)31-25-15-23(18-6-4-3-5-7-18)32-26-16-24(33-35(25)26)19-8-10-20(28)11-9-19/h3-11,14-17,31H,12-13H2,1-2H3
InChIKeyFCUJFMNAQIFYLL-UHFFFAOYSA-N
MW486.53 g/mol
LogP5.42
Rot. Bonds8

About N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 127053103) has the molecular formula C27H24F2N6O and a molecular weight of 486.53 g/mol. Its IUPAC name is N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID127053103
Molecular FormulaC27H24F2N6O
Molecular Weight486.53 g/mol
Exact Mass486.20
IUPAC NameN-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)CCOc1ncc(Nc2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)cc1F
InChIInChI=1S/C27H24F2N6O/c1-34(2)12-13-36-27-22(29)14-21(17-30-27)31-25-15-23(18-6-4-3-5-7-18)32-26-16-24(33-35(25)26)19-8-10-20(28)11-9-19/h3-11,14-17,31H,12-13H2,1-2H3
InChIKeyFCUJFMNAQIFYLL-UHFFFAOYSA-N
XLogP5.42
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-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-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 127053103) is N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CN(C)CCOc1ncc(Nc2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)cc1F.
What is the InChIKey of N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FCUJFMNAQIFYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N6O/c1-34(2)12-13-36-27-22(29)14-21(17-30-27)31-25-15-23(18-6-4-3-5-7-18)32-26-16-24(33-35(25)26)19-8-10-20(28)11-9-19/h3-11,14-17,31H,12-13H2,1-2H3.
What are the key properties of N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 486.53 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(dimethylamino)ethoxy]-5-fluoro-3-pyridinyl]-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 127053103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).