4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine

C22H16N4O — CID 2095018

IUPAC4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(OCc4cccc5ccccc45)ncnc32)cc1
InChIInChI=1S/C22H16N4O/c1-2-10-18(11-3-1)26-21-20(13-25-26)22(24-15-23-21)27-14-17-9-6-8-16-7-4-5-12-19(16)17/h1-13,15H,14H2
InChIKeyGAZQPDKFWQAYCL-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.55
Rot. Bonds4

About 4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine

4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 2095018) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID2095018
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(OCc4cccc5ccccc45)ncnc32)cc1
InChIInChI=1S/C22H16N4O/c1-2-10-18(11-3-1)26-21-20(13-25-26)22(24-15-23-21)27-14-17-9-6-8-16-7-4-5-12-19(16)17/h1-13,15H,14H2
InChIKeyGAZQPDKFWQAYCL-UHFFFAOYSA-N
XLogP4.55
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine (CID 2095018) is 4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine is c1ccc(-n2ncc3c(OCc4cccc5ccccc45)ncnc32)cc1.
What is the InChIKey of 4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is GAZQPDKFWQAYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-2-10-18(11-3-1)26-21-20(13-25-26)22(24-15-23-21)27-14-17-9-6-8-16-7-4-5-12-19(16)17/h1-13,15H,14H2.
What are the key properties of 4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine?
4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 352.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 2095018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).