N-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide

C26H21N5O — CID 46238209

IUPACN-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide
SMILESO=C(Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C26H21N5O/c32-26(21-14-8-3-9-15-21)29-24-22-18-31(17-16-19-10-4-1-5-11-19)30-25(22)28-23(27-24)20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,27,28,29,30,32)
InChIKeyRYMBLKSWXYZCRJ-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.99
Rot. Bonds6

About N-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide

N-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide (PubChem CID 46238209) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide
PubChem CID46238209
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC NameN-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide
SMILESO=C(Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C26H21N5O/c32-26(21-14-8-3-9-15-21)29-24-22-18-31(17-16-19-10-4-1-5-11-19)30-25(22)28-23(27-24)20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,27,28,29,30,32)
InChIKeyRYMBLKSWXYZCRJ-UHFFFAOYSA-N
XLogP4.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
Pyrazolo[3,4-d]pyrimidine 4
CID 6539955
B-Raf IN 1
CID 24884503
2-((4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
CID 53245636
4-[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
CID 137348547
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823
N-[(1R)-1-phenylethyl]-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 76322048
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
3-fluoro-N-[3-[(2-fluorophenyl)methyl]-5-phenyltriazolo[4,5-d]pyrimidin-7-yl]benzamide
CID 71723581
N-[3-[(2-fluorophenyl)methyl]-5-phenyltriazolo[4,5-d]pyrimidin-7-yl]-4-iodobenzamide
CID 71723718
N-(11-methyl-4-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl)-2-phenylacetamide
CID 46206467

Frequently Asked Questions

What is the IUPAC name of N-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide?
The IUPAC name of N-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide (CID 46238209) is N-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide is O=C(Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12)c1ccccc1.
What is the InChIKey of N-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide?
The InChIKey is RYMBLKSWXYZCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c32-26(21-14-8-3-9-15-21)29-24-22-18-31(17-16-19-10-4-1-5-11-19)30-25(22)28-23(27-24)20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,27,28,29,30,32).
What are the key properties of N-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide?
N-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide has a molecular weight of 419.49 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-phenyl-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 46238209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).