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

C16H10BrClN4O — CID 52883225

IUPAC3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1nc(Br)c2c(Oc3ccc(Cl)c4ccccc34)ncnc21
InChIInChI=1S/C16H10BrClN4O/c1-22-15-13(14(17)21-22)16(20-8-19-15)23-12-7-6-11(18)9-4-2-3-5-10(9)12/h2-8H,1H3
InChIKeyZUQKIDIMBBDGLZ-UHFFFAOYSA-N
MW389.64 g/mol
LogP4.72
Rot. Bonds2

About 3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine

3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 52883225) has the molecular formula C16H10BrClN4O and a molecular weight of 389.64 g/mol. Its IUPAC name is 3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID52883225
Molecular FormulaC16H10BrClN4O
Molecular Weight389.64 g/mol
Exact Mass387.97
IUPAC Name3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1nc(Br)c2c(Oc3ccc(Cl)c4ccccc34)ncnc21
InChIInChI=1S/C16H10BrClN4O/c1-22-15-13(14(17)21-22)16(20-8-19-15)23-12-7-6-11(18)9-4-2-3-5-10(9)12/h2-8H,1H3
InChIKeyZUQKIDIMBBDGLZ-UHFFFAOYSA-N
XLogP4.72
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.64
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine (CID 52883225) is 3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine is Cn1nc(Br)c2c(Oc3ccc(Cl)c4ccccc34)ncnc21.
What is the InChIKey of 3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is ZUQKIDIMBBDGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN4O/c1-22-15-13(14(17)21-22)16(20-8-19-15)23-12-7-6-11(18)9-4-2-3-5-10(9)12/h2-8H,1H3.
What are the key properties of 3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine?
3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 389.64 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 52883225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).