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

C27H24N4O3 — CID 2877183

IUPAC1'-ethyl-7',8'-dimethoxy-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one
SMILESCCc1nn(-c2ccccc2)c2c1-c1cc(OC)c(OC)cc1C1(N2)C(=O)Nc2ccccc21
InChIInChI=1S/C27H24N4O3/c1-4-20-24-17-14-22(33-2)23(34-3)15-19(17)27(18-12-8-9-13-21(18)28-26(27)32)29-25(24)31(30-20)16-10-6-5-7-11-16/h5-15,29H,4H2,1-3H3,(H,28,32)
InChIKeyNYDVTFYIJKDPEM-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.74
Rot. Bonds4

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

1'-ethyl-7',8'-dimethoxy-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one (PubChem CID 2877183) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 1'-ethyl-7',8'-dimethoxy-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one.

Molecular Properties

Compound Name1'-ethyl-7',8'-dimethoxy-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one
PubChem CID2877183
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name1'-ethyl-7',8'-dimethoxy-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one
SMILESCCc1nn(-c2ccccc2)c2c1-c1cc(OC)c(OC)cc1C1(N2)C(=O)Nc2ccccc21
InChIInChI=1S/C27H24N4O3/c1-4-20-24-17-14-22(33-2)23(34-3)15-19(17)27(18-12-8-9-13-21(18)28-26(27)32)29-25(24)31(30-20)16-10-6-5-7-11-16/h5-15,29H,4H2,1-3H3,(H,28,32)
InChIKeyNYDVTFYIJKDPEM-UHFFFAOYSA-N
XLogP4.74
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7',8'-dimethoxy-1'-methyl-3'-phenyl-3',4'-dihydrospiro[indole-3,5'-pyrazolo[3,4-c]isoquinolin]-2(1H)-one
CID 2877156
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
(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
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
5-methoxy-2-oxo-1',3',6'-triphenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 155809018

Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-7',8'-dimethoxy-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one?
The IUPAC name of 1'-ethyl-7',8'-dimethoxy-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one (CID 2877183) is 1'-ethyl-7',8'-dimethoxy-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one.
What is the SMILES notation for 1'-ethyl-7',8'-dimethoxy-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one?
The canonical SMILES for 1'-ethyl-7',8'-dimethoxy-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one is CCc1nn(-c2ccccc2)c2c1-c1cc(OC)c(OC)cc1C1(N2)C(=O)Nc2ccccc21.
What is the InChIKey of 1'-ethyl-7',8'-dimethoxy-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one?
The InChIKey is NYDVTFYIJKDPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-4-20-24-17-14-22(33-2)23(34-3)15-19(17)27(18-12-8-9-13-21(18)28-26(27)32)29-25(24)31(30-20)16-10-6-5-7-11-16/h5-15,29H,4H2,1-3H3,(H,28,32).
What are the key properties of 1'-ethyl-7',8'-dimethoxy-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one?
1'-ethyl-7',8'-dimethoxy-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one has a molecular weight of 452.51 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-7',8'-dimethoxy-3'-phenylspiro[1H-indole-3,5'-4H-pyrazolo[5,4-c]isoquinoline]-2-one is sourced from PubChem (CID 2877183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).