N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide

C25H19N5O — CID 46238064

IUPACN-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C25H19N5O/c31-25(20-14-8-3-9-15-20)28-23-21-17-30(16-18-10-4-1-5-11-18)29-24(21)27-22(26-23)19-12-6-2-7-13-19/h1-15,17H,16H2,(H,26,27,28,29,31)
InChIKeyACNFYYUXBQGWQL-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.79
Rot. Bonds5

About N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide

N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide (PubChem CID 46238064) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide
PubChem CID46238064
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC NameN-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C25H19N5O/c31-25(20-14-8-3-9-15-20)28-23-21-17-30(16-18-10-4-1-5-11-18)29-24(21)27-22(26-23)19-12-6-2-7-13-19/h1-15,17H,16H2,(H,26,27,28,29,31)
InChIKeyACNFYYUXBQGWQL-UHFFFAOYSA-N
XLogP4.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.79
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
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
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
N-[4-(4-fluorophenyl)-11-methyl-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 46206468
N-[4-(4-chlorophenyl)-11-methyl-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 46206469
N-[4-(4-bromophenyl)-11-methyl-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 46206809

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide?
The IUPAC name of N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide (CID 46238064) is N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide?
The canonical SMILES for N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide is O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1ccccc1.
What is the InChIKey of N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide?
The InChIKey is ACNFYYUXBQGWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c31-25(20-14-8-3-9-15-20)28-23-21-17-30(16-18-10-4-1-5-11-18)29-24(21)27-22(26-23)19-12-6-2-7-13-19/h1-15,17H,16H2,(H,26,27,28,29,31).
What are the key properties of N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide?
N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide has a molecular weight of 405.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide is sourced from PubChem (CID 46238064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).