6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one

C24H20N2O3 — CID 2864072

IUPAC6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
SMILESCOc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(-c4ccccc4)cc3)CC21
InChIInChI=1S/C24H20N2O3/c1-28-21-13-12-18-20-14-19(25-26(20)24(27)22(18)23(21)29-2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,20H,14H2,1-2H3
InChIKeyLASWRNMHUGGQMD-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.68
Rot. Bonds4

About 6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one

6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one (PubChem CID 2864072) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
PubChem CID2864072
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
SMILESCOc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(-c4ccccc4)cc3)CC21
InChIInChI=1S/C24H20N2O3/c1-28-21-13-12-18-20-14-19(25-26(20)24(27)22(18)23(21)29-2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,20H,14H2,1-2H3
InChIKeyLASWRNMHUGGQMD-UHFFFAOYSA-N
XLogP4.68
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
CID 2864509
2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
CID 2939465
5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 10600488
3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148
(3S)-2,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7195893
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7411218
(3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7104195
(7aR)-3-chloro-10,11-dimethoxy-6-(4-methoxyphenyl)-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one
CID 1240690
(3R)-2-(benzenesulfonyl)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole
CID 7120948
6-[2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid
CID 3586605
4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 66488350
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one?
The IUPAC name of 6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one (CID 2864072) is 6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one.
What is the SMILES notation for 6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one?
The canonical SMILES for 6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one is COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(-c4ccccc4)cc3)CC21.
What is the InChIKey of 6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one?
The InChIKey is LASWRNMHUGGQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-28-21-13-12-18-20-14-19(25-26(20)24(27)22(18)23(21)29-2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,20H,14H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one?
6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one has a molecular weight of 384.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one is sourced from PubChem (CID 2864072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).