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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Related Compounds

3-(6-ethoxynaphthalen-2-yl)-1-((1-methylpiperidin-4-yl)methyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56963908
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
3-(6-Ethoxynaphthalen-2-Yl)-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 49850435
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
3-(6-Allyloxy-2-naphthyl)-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53344793
3-Phenyl-6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazine
CID 9798829
6-Phenyl-9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 9821389
6-Phenyl-9-(pyrimidin-4-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11176580
9-[(3-Methyl-2-pyridinyl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11176957
6-(2-Fluorophenyl)-9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11452374
9-(Isoquinolin-1-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11464656
1H-Pyrazolo[3,4-d]pyriMidin-4-aMine, 1-(1-Methylethyl)-3-[6-(phenylMethoxy)-2-naphthalenyl]-
CID 53344910

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).