6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile

C21H15N7O3 — CID 135621337

IUPAC6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C1(C(=O)Nc3ccccc31)C(C#N)=C(N)N2
InChIInChI=1S/C21H15N7O3/c1-11-17-19(27(26-11)12-6-8-13(9-7-12)28(30)31)25-18(23)15(10-22)21(17)14-4-2-3-5-16(14)24-20(21)29/h2-9,25H,23H2,1H3,(H,24,29)
InChIKeyZUOKGJZPNUQJNB-UHFFFAOYSA-N
MW413.40 g/mol
LogP2.45
Rot. Bonds2

About 6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile

6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile (PubChem CID 135621337) has the molecular formula C21H15N7O3 and a molecular weight of 413.40 g/mol. Its IUPAC name is 6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile.

Molecular Properties

Compound Name6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
PubChem CID135621337
Molecular FormulaC21H15N7O3
Molecular Weight413.40 g/mol
Exact Mass413.12
IUPAC Name6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C1(C(=O)Nc3ccccc31)C(C#N)=C(N)N2
InChIInChI=1S/C21H15N7O3/c1-11-17-19(27(26-11)12-6-8-13(9-7-12)28(30)31)25-18(23)15(10-22)21(17)14-4-2-3-5-16(14)24-20(21)29/h2-9,25H,23H2,1H3,(H,24,29)
InChIKeyZUOKGJZPNUQJNB-UHFFFAOYSA-N
XLogP2.45
TPSA151.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile 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

6'-amino-3',5-dimethyl-1'-(4-methylphenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 135621350
6'-(1H-indol-3-yl)-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 136830837
6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile
CID 135621349
(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
(3R)-6'-amino-3'-methyl-5-nitro-2-oxospiro[1H-indole-3,4'-2,7-dihydropyrazolo[3,4-b]pyridine]-5'-carbonitrile
CID 135952992
(3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one
CID 7428045
(3R)-6'-amino-5-bromo-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 1035483
(3R)-6'-amino-6-chloro-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 1219386
(3S)-6'-amino-6-chloro-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 1219385
6'-amino-2-oxo-1',3'-diphenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 15094138
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
2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 171355275

Frequently Asked Questions

What is the IUPAC name of 6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile?
The IUPAC name of 6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile (CID 135621337) is 6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile.
What is the SMILES notation for 6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile?
The canonical SMILES for 6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile is Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C1(C(=O)Nc3ccccc31)C(C#N)=C(N)N2.
What is the InChIKey of 6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile?
The InChIKey is ZUOKGJZPNUQJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7O3/c1-11-17-19(27(26-11)12-6-8-13(9-7-12)28(30)31)25-18(23)15(10-22)21(17)14-4-2-3-5-16(14)24-20(21)29/h2-9,25H,23H2,1H3,(H,24,29).
What are the key properties of 6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile?
6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile has a molecular weight of 413.40 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile is sourced from PubChem (CID 135621337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).