4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine

C16H11ClN4O — CID 25315286

IUPAC4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Oc3ccc(Cl)c4ccccc34)ncnc21
InChIInChI=1S/C16H11ClN4O/c1-21-15-12(8-20-21)16(19-9-18-15)22-14-7-6-13(17)10-4-2-3-5-11(10)14/h2-9H,1H3
InChIKeyRKUNNILPYOFIJJ-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.96
Rot. Bonds2

About 4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine

4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 25315286) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID25315286
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Oc3ccc(Cl)c4ccccc34)ncnc21
InChIInChI=1S/C16H11ClN4O/c1-21-15-12(8-20-21)16(19-9-18-15)22-14-7-6-13(17)10-4-2-3-5-11(10)14/h2-9H,1H3
InChIKeyRKUNNILPYOFIJJ-UHFFFAOYSA-N
XLogP3.96
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-Chlorophenyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 1485553
1-(4-chlorobenzyl)-4-[4-(5-chloro-2-methoxybenzyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
CID 1542108
US9580437, Example 32
CID 121432950
4-[4-(5-chloro-2-methoxybenzyl)piperazin-1-yl]-1-(4-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 1542116
2-(2-Chlorophenyl)-6-phenyl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
CID 16724269
6-(4-Chlorophenoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 25194958
4-(2,3-dihydro-1H-inden-5-yloxy)-1-methylpyrazolo[5,4-d]pyrimidine
CID 17528692
4-(2-Chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 138038380
4-[4-(4-Chloro-3-trifluoromethyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 57964925
4-[4-Chloro-3-(trifluoromethyl)phenoxy]-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine
CID 69015468
4-chloro-1-[1-[3-(3-fluorophenyl)-4H-chromen-2-yl]ethyl]pyrazolo[5,4-d]pyrimidine
CID 88879458
8-(2-Chloro-4-fluorophenyl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 146765436

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine (CID 25315286) is 4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(Oc3ccc(Cl)c4ccccc34)ncnc21.
What is the InChIKey of 4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is RKUNNILPYOFIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c1-21-15-12(8-20-21)16(19-9-18-15)22-14-7-6-13(17)10-4-2-3-5-11(10)14/h2-9H,1H3.
What are the key properties of 4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine?
4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 310.74 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 25315286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).