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

C26H21N5O2 — CID 46238065

IUPACN-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(Cc4ccccc4)cc23)cc1
InChIInChI=1S/C26H21N5O2/c1-33-21-14-12-20(13-15-21)26(32)29-24-22-17-31(16-18-8-4-2-5-9-18)30-25(22)28-23(27-24)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,27,28,29,30,32)
InChIKeyHFGJPIOXWBEPKI-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.80
Rot. Bonds6

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

N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide (PubChem CID 46238065) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide
PubChem CID46238065
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC NameN-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(Cc4ccccc4)cc23)cc1
InChIInChI=1S/C26H21N5O2/c1-33-21-14-12-20(13-15-21)26(32)29-24-22-17-31(16-18-8-4-2-5-9-18)30-25(22)28-23(27-24)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,27,28,29,30,32)
InChIKeyHFGJPIOXWBEPKI-UHFFFAOYSA-N
XLogP4.80
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide?
The IUPAC name of N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide (CID 46238065) is N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide?
The canonical SMILES for N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(Cc4ccccc4)cc23)cc1.
What is the InChIKey of N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide?
The InChIKey is HFGJPIOXWBEPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-33-21-14-12-20(13-15-21)26(32)29-24-22-17-31(16-18-8-4-2-5-9-18)30-25(22)28-23(27-24)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3,(H,27,28,29,30,32).
What are the key properties of N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide?
N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide has a molecular weight of 435.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-4-methoxybenzamide is sourced from PubChem (CID 46238065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).