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

Related Compounds

Taletrectinib
CID 72202474
Mak-683
CID 121412508
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
2-(3,5-difluoro-4-((3-(5-methoxy-4-((3-methoxypyridin-4-yl)amino)pyrimidin-2-yl)-1H-indazol-1-yl)methyl)phenoxy)ethan-1-ol
CID 118958833
AZ-Tak1
CID 71543324
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 72202254
5-[2-(dimethylamino)ethoxy]-2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
CID 72202696
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101

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).