4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide

C17H17F3N6O — CID 53190978

IUPAC4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCN(C)c1nc(C(=O)NCc2ccc(C(F)(F)F)cc2)nc2nn(C)cc12
InChIInChI=1S/C17H17F3N6O/c1-25(2)15-12-9-26(3)24-13(12)22-14(23-15)16(27)21-8-10-4-6-11(7-5-10)17(18,19)20/h4-7,9H,8H2,1-3H3,(H,21,27)
InChIKeyGITVNGQNKRXTKP-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.38
Rot. Bonds4

About 4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide

4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 53190978) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID53190978
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCN(C)c1nc(C(=O)NCc2ccc(C(F)(F)F)cc2)nc2nn(C)cc12
InChIInChI=1S/C17H17F3N6O/c1-25(2)15-12-9-26(3)24-13(12)22-14(23-15)16(27)21-8-10-4-6-11(7-5-10)17(18,19)20/h4-7,9H,8H2,1-3H3,(H,21,27)
InChIKeyGITVNGQNKRXTKP-UHFFFAOYSA-N
XLogP2.38
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide (CID 53190978) is 4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide is CN(C)c1nc(C(=O)NCc2ccc(C(F)(F)F)cc2)nc2nn(C)cc12.
What is the InChIKey of 4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is GITVNGQNKRXTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c1-25(2)15-12-9-26(3)24-13(12)22-14(23-15)16(27)21-8-10-4-6-11(7-5-10)17(18,19)20/h4-7,9H,8H2,1-3H3,(H,21,27).
What are the key properties of 4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide?
4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53190978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).