5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one

C24H18N4O — CID 91124954

IUPAC5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccccc3)nn(-c3ccccc3)c2ncn1C1=CC=CC=CC1
InChIInChI=1S/C24H18N4O/c29-24-21-22(18-11-5-3-6-12-18)26-28(20-15-9-4-10-16-20)23(21)25-17-27(24)19-13-7-1-2-8-14-19/h1-13,15-17H,14H2
InChIKeyASEANODBUDHRBJ-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.61
Rot. Bonds3

About 5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one

5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 91124954) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID91124954
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccccc3)nn(-c3ccccc3)c2ncn1C1=CC=CC=CC1
InChIInChI=1S/C24H18N4O/c29-24-21-22(18-11-5-3-6-12-18)26-28(20-15-9-4-10-16-20)23(21)25-17-27(24)19-13-7-1-2-8-14-19/h1-13,15-17H,14H2
InChIKeyASEANODBUDHRBJ-UHFFFAOYSA-N
XLogP4.61
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one
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5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine
CID 57380816
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CID 171099009
1-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[4,5-c]quinolin-4-one
CID 2785503
4-(4-chlorophenyl)-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 164611471
(12Z)-11-methyl-3,5-diphenyl-12-(phenylhydrazinylidene)-4,5,7,9,10,14-hexazatricyclo[7.5.0.02,6]tetradeca-1(14),2(6),3,7,10-pentaen-13-one
CID 102033374
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CID 1480891
(4S)-4-(4-ethoxyphenyl)-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 2047155
5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 25136488
(1E,3Z,5E,8S)-8-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]bicyclo[5.2.1]deca-1,3,5-trien-8-amine
CID 173471854
5-naphthalen-1-yl-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 25136493

Frequently Asked Questions

What is the IUPAC name of 5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one (CID 91124954) is 5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one is O=c1c2c(-c3ccccc3)nn(-c3ccccc3)c2ncn1C1=CC=CC=CC1.
What is the InChIKey of 5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ASEANODBUDHRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c29-24-21-22(18-11-5-3-6-12-18)26-28(20-15-9-4-10-16-20)23(21)25-17-27(24)19-13-7-1-2-8-14-19/h1-13,15-17H,14H2.
What are the key properties of 5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 378.44 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohepta-1,3,5-trien-1-yl-1,3-diphenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 91124954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).