6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine

C17H18F3N7O — CID 155414387

IUPAC6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(N[C@H]3COC[C@H]3N)nc21
InChIInChI=1S/C17H18F3N7O/c1-27-15-11(6-22-27)14(23-10-4-2-9(3-5-10)17(18,19)20)25-16(26-15)24-13-8-28-7-12(13)21/h2-6,12-13H,7-8,21H2,1H3,(H2,23,24,25,26)/t12-,13+/m1/s1
InChIKeyZPQJLFHWEYEDAH-OLZOCXBDSA-N
MW393.37 g/mol
LogP2.26
Rot. Bonds4

About 6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 155414387) has the molecular formula C17H18F3N7O and a molecular weight of 393.37 g/mol. Its IUPAC name is 6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID155414387
Molecular FormulaC17H18F3N7O
Molecular Weight393.37 g/mol
Exact Mass393.15
IUPAC Name6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(N[C@H]3COC[C@H]3N)nc21
InChIInChI=1S/C17H18F3N7O/c1-27-15-11(6-22-27)14(23-10-4-2-9(3-5-10)17(18,19)20)25-16(26-15)24-13-8-28-7-12(13)21/h2-6,12-13H,7-8,21H2,1H3,(H2,23,24,25,26)/t12-,13+/m1/s1
InChIKeyZPQJLFHWEYEDAH-OLZOCXBDSA-N
XLogP2.26
TPSA102.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine 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

6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 44826614
6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155413864
1-methyl-4-N-(4-methylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795124
6-N-(3,4-dimethylphenyl)-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545365
4-N-(3-chlorophenyl)-6-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545698
6-N-[(1-aminocyclopropyl)methyl]-1-(trideuteriomethyl)-4-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155413829
4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 27486830
1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 134587658
6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795105
1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 163331024
6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 134158210
4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795161

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 155414387) is 6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine is Cn1ncc2c(Nc3ccc(C(F)(F)F)cc3)nc(N[C@H]3COC[C@H]3N)nc21.
What is the InChIKey of 6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is ZPQJLFHWEYEDAH-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H18F3N7O/c1-27-15-11(6-22-27)14(23-10-4-2-9(3-5-10)17(18,19)20)25-16(26-15)24-13-8-28-7-12(13)21/h2-6,12-13H,7-8,21H2,1H3,(H2,23,24,25,26)/t12-,13+/m1/s1.
What are the key properties of 6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 393.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3R,4S)-4-aminooxolan-3-yl]-1-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 155414387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).