4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one

C20H15N5O2 — CID 42600929

IUPAC4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCc1c(-c2c3c(N)n[nH]c(=O)c3nn2-c2ccccc2)oc2ccccc12
InChIInChI=1S/C20H15N5O2/c1-11-13-9-5-6-10-14(13)27-18(11)17-15-16(20(26)23-22-19(15)21)24-25(17)12-7-3-2-4-8-12/h2-10H,1H3,(H2,21,22)(H,23,26)
InChIKeyFSSYFSGWGZLEBJ-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.41
Rot. Bonds2

About 4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one

4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 42600929) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
PubChem CID42600929
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCc1c(-c2c3c(N)n[nH]c(=O)c3nn2-c2ccccc2)oc2ccccc12
InChIInChI=1S/C20H15N5O2/c1-11-13-9-5-6-10-14(13)27-18(11)17-15-16(20(26)23-22-19(15)21)24-25(17)12-7-3-2-4-8-12/h2-10H,1H3,(H2,21,22)(H,23,26)
InChIKeyFSSYFSGWGZLEBJ-UHFFFAOYSA-N
XLogP3.41
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one (CID 42600929) is 4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one is Cc1c(-c2c3c(N)n[nH]c(=O)c3nn2-c2ccccc2)oc2ccccc12.
What is the InChIKey of 4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is FSSYFSGWGZLEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-11-13-9-5-6-10-14(13)27-18(11)17-15-16(20(26)23-22-19(15)21)24-25(17)12-7-3-2-4-8-12/h2-10H,1H3,(H2,21,22)(H,23,26).
What are the key properties of 4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 357.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methyl-1-benzofuran-2-yl)-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 42600929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).