2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one

C29H20N4O — CID 10622967

IUPAC2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one
SMILESO=c1c2nn(-c3ccccc3)c(-c3ccccc3)c2c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C29H20N4O/c34-29-27-25(26(21-13-5-1-6-14-21)30-33(29)24-19-11-4-12-20-24)28(22-15-7-2-8-16-22)32(31-27)23-17-9-3-10-18-23/h1-20H
InChIKeyNDFYJBPZADIDSD-UHFFFAOYSA-N
MW440.51 g/mol
LogP5.91
Rot. Bonds4

About 2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one

2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one (PubChem CID 10622967) has the molecular formula C29H20N4O and a molecular weight of 440.51 g/mol. Its IUPAC name is 2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one
PubChem CID10622967
Molecular FormulaC29H20N4O
Molecular Weight440.51 g/mol
Exact Mass440.16
IUPAC Name2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one
SMILESO=c1c2nn(-c3ccccc3)c(-c3ccccc3)c2c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C29H20N4O/c34-29-27-25(26(21-13-5-1-6-14-21)30-33(29)24-19-11-4-12-20-24)28(22-15-7-2-8-16-22)32(31-27)23-17-9-3-10-18-23/h1-20H
InChIKeyNDFYJBPZADIDSD-UHFFFAOYSA-N
XLogP5.91
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-diphenylthieno[3,4-d]pyridazin-4-one
CID 134113755
4-methoxy-1,3,5-triphenylpyrazole
CID 21489465
2-(4-ethoxyphenyl)-3,4-diphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 1234259
1,3,5-triphenyl-4-pyrazol-1-ylpyrazole
CID 57355521
N,N-dimethyl-4-(3,4,5-triphenylpyrazol-1-yl)aniline
CID 59515054
2-(4-chlorophenyl)-4-phenylphthalazin-1-one
CID 110172596
2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline
CID 132918864
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
1,3,4-triphenylpyrazole-5-carboxylic acid
CID 15566290
4-(4-bromophenyl)sulfonyl-1,3,5-triphenylpyrazole
CID 15359160
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
1-(4-nitrophenyl)-3,4,5-triphenylpyrazole
CID 59515058

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one (CID 10622967) is 2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one is O=c1c2nn(-c3ccccc3)c(-c3ccccc3)c2c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is NDFYJBPZADIDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4O/c34-29-27-25(26(21-13-5-1-6-14-21)30-33(29)24-19-11-4-12-20-24)28(22-15-7-2-8-16-22)32(31-27)23-17-9-3-10-18-23/h1-20H.
What are the key properties of 2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one?
2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 440.51 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 10622967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).