N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C22H19F3N6O — CID 71138160

IUPACN-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESFC(F)(F)c1cccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3[nH]ncc3n2)c1
InChIInChI=1S/C22H19F3N6O/c23-22(24,25)15-3-1-2-14(12-15)20-28-18-13-26-30-19(18)21(29-20)27-16-4-6-17(7-5-16)31-8-10-32-11-9-31/h1-7,12-13H,8-11H2,(H,26,30)(H,27,28,29)
InChIKeyLZRVWKSOIUIDBU-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.62
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine

N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 71138160) has the molecular formula C22H19F3N6O and a molecular weight of 440.43 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID71138160
Molecular FormulaC22H19F3N6O
Molecular Weight440.43 g/mol
Exact Mass440.16
IUPAC NameN-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESFC(F)(F)c1cccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3[nH]ncc3n2)c1
InChIInChI=1S/C22H19F3N6O/c23-22(24,25)15-3-1-2-14(12-15)20-28-18-13-26-30-19(18)21(29-20)27-16-4-6-17(7-5-16)31-8-10-32-11-9-31/h1-7,12-13H,8-11H2,(H,26,30)(H,27,28,29)
InChIKeyLZRVWKSOIUIDBU-UHFFFAOYSA-N
XLogP4.62
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138008
5-(2-fluorophenyl)-N-(4-morpholin-4-ylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138155
N-(4-morpholin-4-ylphenyl)-5-(1,3-oxazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 118380597
2-methyl-4-[7-(4-morpholin-4-ylanilino)-1H-pyrazolo[4,5-d]pyrimidin-5-yl]benzoic acid
CID 118413153
N-(4-morpholin-4-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104809
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138076
2-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)-7H-purin-6-amine
CID 117079432
N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-5-(4-methoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138126
5-(3-aminophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90103873
7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 70977016
1-[4-[4-[[5-(furan-3-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 90104280
8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one
CID 58093993

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 71138160) is N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine is FC(F)(F)c1cccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3[nH]ncc3n2)c1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is LZRVWKSOIUIDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O/c23-22(24,25)15-3-1-2-14(12-15)20-28-18-13-26-30-19(18)21(29-20)27-16-4-6-17(7-5-16)31-8-10-32-11-9-31/h1-7,12-13H,8-11H2,(H,26,30)(H,27,28,29).
What are the key properties of N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 440.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 71138160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).