7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one

C26H22N4O3 — CID 2877156

IUPAC7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one
SMILESCOc1cc2c(cc1OC)C1(Nc3c-2c(C)nn3-c2ccccc2)C(=O)Nc2ccccc21
InChIInChI=1S/C26H22N4O3/c1-15-23-17-13-21(32-2)22(33-3)14-19(17)26(18-11-7-8-12-20(18)27-25(26)31)28-24(23)30(29-15)16-9-5-4-6-10-16/h4-14,28H,1-3H3,(H,27,31)
InChIKeyKRLREJIMJXTRFO-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.49
Rot. Bonds3

About 7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one

7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one (PubChem CID 2877156) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one.

Molecular Properties

Compound Name7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one
PubChem CID2877156
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one
SMILESCOc1cc2c(cc1OC)C1(Nc3c-2c(C)nn3-c2ccccc2)C(=O)Nc2ccccc21
InChIInChI=1S/C26H22N4O3/c1-15-23-17-13-21(32-2)22(33-3)14-19(17)26(18-11-7-8-12-20(18)27-25(26)31)28-24(23)30(29-15)16-9-5-4-6-10-16/h4-14,28H,1-3H3,(H,27,31)
InChIKeyKRLREJIMJXTRFO-UHFFFAOYSA-N
XLogP4.49
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-ethyl-7',8'-dimethoxy-3'-phenyl-3',4'-dihydrospiro[indole-3,5'-pyrazolo[3,4-c]isoquinolin]-2(1H)-one
CID 2877183
1'-benzyl-7',8'-dimethoxy-3'-phenyl-3',4'-dihydrospiro[indole-3,5'-pyrazolo[3,4-c]isoquinolin]-2(1H)-one
CID 2877433
2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135907005
7',8'-dimethoxy-1',3'-diphenyl-3',4'-dihydrospiro[indole-3,5'-pyrazolo[3,4-c]isoquinolin]-2(1H)-one
CID 2877429
4-{2-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-1-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135653715
4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135652073
(3S)-7',8'-dimethoxy-1',3'-diphenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one
CID 2230738
2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 30833766
4-{2-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135652944
4-{2-[(3-fluorobenzyl)oxy]-3-methoxyphenyl}-1-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135653080
4-{2-[(3-fluorobenzyl)oxy]-3-methoxyphenyl}-1-(4-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135653163
4-{2-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-1-(4-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135653205

Frequently Asked Questions

What is the IUPAC name of 7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one?
The IUPAC name of 7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one (CID 2877156) is 7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one.
What is the SMILES notation for 7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one?
The canonical SMILES for 7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one is COc1cc2c(cc1OC)C1(Nc3c-2c(C)nn3-c2ccccc2)C(=O)Nc2ccccc21.
What is the InChIKey of 7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one?
The InChIKey is KRLREJIMJXTRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-15-23-17-13-21(32-2)22(33-3)14-19(17)26(18-11-7-8-12-20(18)27-25(26)31)28-24(23)30(29-15)16-9-5-4-6-10-16/h4-14,28H,1-3H3,(H,27,31).
What are the key properties of 7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one?
7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one has a molecular weight of 438.49 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7',8'-dimethoxy-1'-methyl-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one is sourced from PubChem (CID 2877156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).