(3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione

C24H19BrN4O2 — CID 136776877

IUPAC(3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione
SMILESCc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)Nc3ccc(Br)cc31)C1=C(CCCC1=O)N2
InChIInChI=1S/C24H19BrN4O2/c1-13-20-22(29(28-13)15-6-3-2-4-7-15)26-18-8-5-9-19(30)21(18)24(20)16-12-14(25)10-11-17(16)27-23(24)31/h2-4,6-7,10-12,26H,5,8-9H2,1H3,(H,27,31)/t24-/m1/s1
InChIKeyHOELTVTWIKPLLK-XMMPIXPASA-N
MW475.35 g/mol
LogP4.61
Rot. Bonds1

About (3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione

(3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione (PubChem CID 136776877) has the molecular formula C24H19BrN4O2 and a molecular weight of 475.35 g/mol. Its IUPAC name is (3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione.

Molecular Properties

Compound Name(3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione
PubChem CID136776877
Molecular FormulaC24H19BrN4O2
Molecular Weight475.35 g/mol
Exact Mass474.07
IUPAC Name(3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione
SMILESCc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)Nc3ccc(Br)cc31)C1=C(CCCC1=O)N2
InChIInChI=1S/C24H19BrN4O2/c1-13-20-22(29(28-13)15-6-3-2-4-7-15)26-18-8-5-9-19(30)21(18)24(20)16-12-14(25)10-11-17(16)27-23(24)31/h2-4,6-7,10-12,26H,5,8-9H2,1H3,(H,27,31)/t24-/m1/s1
InChIKeyHOELTVTWIKPLLK-XMMPIXPASA-N
XLogP4.61
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.35
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione 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

5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione
CID 139233275
6-bromo-6'-methyl-4'-phenylspiro[1H-indole-3,8'-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione
CID 137317895
(3R)-3'-methyl-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-chromeno[3,2-d]pyrazole]-2,5'-dione
CID 139177211
5-bromo-3'-methyl-6'-(7-methyl-1H-indol-3-yl)-2-oxo-1'-phenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 136830847
5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione
CID 135878866
(3R)-6'-amino-5-bromo-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 1035483
(3S)-6'-methyl-5-nitro-4'-phenylspiro[1H-indole-3,8'-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione
CID 136776900
ethyl 6'-amino-5-bromo-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate
CID 56927379
5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione
CID 137275889
3-methyl-4-[4-(3-methyl-5-oxo-1-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-4-yl)phenyl]-1-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135765340
6'-amino-3',5-dimethyl-1'-(4-methylphenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 135621350
(3S)-3-[5-amino-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-5-bromo-3-hydroxy-1H-indol-2-one
CID 99807246

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione?
The IUPAC name of (3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione (CID 136776877) is (3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione.
What is the SMILES notation for (3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione?
The canonical SMILES for (3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione is Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)Nc3ccc(Br)cc31)C1=C(CCCC1=O)N2.
What is the InChIKey of (3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione?
The InChIKey is HOELTVTWIKPLLK-XMMPIXPASA-N. The full InChI is InChI=1S/C24H19BrN4O2/c1-13-20-22(29(28-13)15-6-3-2-4-7-15)26-18-8-5-9-19(30)21(18)24(20)16-12-14(25)10-11-17(16)27-23(24)31/h2-4,6-7,10-12,26H,5,8-9H2,1H3,(H,27,31)/t24-/m1/s1.
What are the key properties of (3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione?
(3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione has a molecular weight of 475.35 g/mol, XLogP of 4.61, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione is sourced from PubChem (CID 136776877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).