6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one

C23H15ClN10O — CID 24782072

IUPAC6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESNc1ccc(-c2nc3c(cnn3-c3cccc(-c4nn[nH]n4)c3)c(=O)n2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C23H15ClN10O/c24-15-5-7-16(8-6-15)33-21(14-4-9-19(25)26-11-14)28-22-18(23(33)35)12-27-34(22)17-3-1-2-13(10-17)20-29-31-32-30-20/h1-12H,(H2,25,26)(H,29,30,31,32)
InChIKeyOBNHAYORUMDWOE-UHFFFAOYSA-N
MW482.90 g/mol
LogP3.05
Rot. Bonds4

About 6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one

6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 24782072) has the molecular formula C23H15ClN10O and a molecular weight of 482.90 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID24782072
Molecular FormulaC23H15ClN10O
Molecular Weight482.90 g/mol
Exact Mass482.11
IUPAC Name6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESNc1ccc(-c2nc3c(cnn3-c3cccc(-c4nn[nH]n4)c3)c(=O)n2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C23H15ClN10O/c24-15-5-7-16(8-6-15)33-21(14-4-9-19(25)26-11-14)28-22-18(23(33)35)12-27-34(22)17-3-1-2-13(10-17)20-29-31-32-30-20/h1-12H,(H2,25,26)(H,29,30,31,32)
InChIKeyOBNHAYORUMDWOE-UHFFFAOYSA-N
XLogP3.05
TPSA146.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.90
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[4-(2-aminopyrimidin-5-yl)phenyl]-5-(4-methylphenyl)-1-(3-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 143562305
5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1347889
5-(4-chlorophenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 68944169
5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 4612081
5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 67281727
5-(2-chloroethyl)-1-(4-chlorophenyl)-6-(6-fluoro-3-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 162720131
6-(4-bromophenyl)-5-(4-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;sulfonylmethyl acetate
CID 87630281
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1068283
1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726491
5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 11562543
6-chloro-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82460127

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 24782072) is 6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one is Nc1ccc(-c2nc3c(cnn3-c3cccc(-c4nn[nH]n4)c3)c(=O)n2-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OBNHAYORUMDWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN10O/c24-15-5-7-16(8-6-15)33-21(14-4-9-19(25)26-11-14)28-22-18(23(33)35)12-27-34(22)17-3-1-2-13(10-17)20-29-31-32-30-20/h1-12H,(H2,25,26)(H,29,30,31,32).
What are the key properties of 6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 482.90 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-5-(4-chlorophenyl)-1-[3-(2H-tetrazol-5-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 24782072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).